[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C25H34N4O4S — CID 68681776

IUPAC[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC2CC2)CC1
InChIInChI=1S/C25H34N4O4S/c1-18(2)26-7-9-27(10-8-26)24(30)20-5-6-22-21(15-20)16-23(29(22)17-19-3-4-19)25(31)28-11-13-34(32,33)14-12-28/h5-6,15-16,18-19H,3-4,7-14,17H2,1-2H3
InChIKeyXECDWMSQWQRHOB-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.09
Rot. Bonds5

About [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68681776) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68681776
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC2CC2)CC1
InChIInChI=1S/C25H34N4O4S/c1-18(2)26-7-9-27(10-8-26)24(30)20-5-6-22-21(15-20)16-23(29(22)17-19-3-4-19)25(31)28-11-13-34(32,33)14-12-28/h5-6,15-16,18-19H,3-4,7-14,17H2,1-2H3
InChIKeyXECDWMSQWQRHOB-UHFFFAOYSA-N
XLogP2.09
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1-[3-(trifluoromethyl)phenyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24756984
(4-cyclobutylpiperazin-1-yl)-[1-(cyclopropylmethyl)-2-(4,4-difluoropiperidine-1-carbonyl)indol-5-yl]methanone
CID 68682983
4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212145
3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxo-2-[5-(4-propan-2-ylpiperazine-1-carbonyl)indol-1-yl]propanenitrile
CID 69015873
ethyl 4-[1-propan-2-yl-5-(4-propan-2-yl-1,4-diazepane-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylate
CID 24989543
[4-(cyclopropylmethyl)-1-methylpyrrolo[3,2-b]indol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838905
(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile
CID 67073488
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
CID 68621990
1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
[3-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62591369
[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68624973

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68681776) is [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XECDWMSQWQRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-18(2)26-7-9-27(10-8-26)24(30)20-5-6-22-21(15-20)16-23(29(22)17-19-3-4-19)25(31)28-11-13-34(32,33)14-12-28/h5-6,15-16,18-19H,3-4,7-14,17H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 486.64 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68681776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).