[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone

C24H36N4O4S — CID 174565317

IUPAC[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCC(C)n1c(C(=O)N2CCS(O)(O)CC2)cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc21
InChIInChI=1S/C24H36N4O4S/c1-17(2)28-21-8-7-18(23(29)27-9-5-6-20(16-27)25(3)4)14-19(21)15-22(28)24(30)26-10-12-33(31,32)13-11-26/h7-8,14-15,17,20,31-32H,5-6,9-13,16H2,1-4H3
InChIKeyBINMRBWQMQOLFM-UHFFFAOYSA-N
MW476.64 g/mol
LogP3.59
Rot. Bonds4

About [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone

[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 174565317) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
PubChem CID174565317
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC Name[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone
SMILESCC(C)n1c(C(=O)N2CCS(O)(O)CC2)cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc21
InChIInChI=1S/C24H36N4O4S/c1-17(2)28-21-8-7-18(23(29)27-9-5-6-20(16-27)25(3)4)14-19(21)15-22(28)24(30)26-10-12-33(31,32)13-11-26/h7-8,14-15,17,20,31-32H,5-6,9-13,16H2,1-4H3
InChIKeyBINMRBWQMQOLFM-UHFFFAOYSA-N
XLogP3.59
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[1-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylic acid
CID 141212145
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
ethyl 4-[1-propan-2-yl-5-(4-propan-2-yl-1,4-diazepane-1-carbonyl)indole-2-carbonyl]piperazine-1-carboxylate
CID 24989543
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 68683672
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 68682524
[2-(4,4-difluoropiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68682745
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681776

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone (CID 174565317) is [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone is CC(C)n1c(C(=O)N2CCS(O)(O)CC2)cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc21.
What is the InChIKey of [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is BINMRBWQMQOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4S/c1-17(2)28-21-8-7-18(23(29)27-9-5-6-20(16-27)25(3)4)14-19(21)15-22(28)24(30)26-10-12-33(31,32)13-11-26/h7-8,14-15,17,20,31-32H,5-6,9-13,16H2,1-4H3.
What are the key properties of [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone?
[2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 476.64 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)-1-propan-2-ylindol-5-yl]-[3-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 174565317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).