(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone

C14H17N3O2S — CID 141471980

IUPAC(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone
SMILESCS(=O)c1c[nH]c2cc(C(=O)N3CCNCC3)ccc12
InChIInChI=1S/C14H17N3O2S/c1-20(19)13-9-16-12-8-10(2-3-11(12)13)14(18)17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7H2,1H3
InChIKeyZOQMCZQGMDTHRB-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.95
Rot. Bonds2

About (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone

(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone (PubChem CID 141471980) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone
PubChem CID141471980
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone
SMILESCS(=O)c1c[nH]c2cc(C(=O)N3CCNCC3)ccc12
InChIInChI=1S/C14H17N3O2S/c1-20(19)13-9-16-12-8-10(2-3-11(12)13)14(18)17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7H2,1H3
InChIKeyZOQMCZQGMDTHRB-UHFFFAOYSA-N
XLogP0.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylsulfinyl-1H-indole-6-carboxamide
CID 118676839
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
CID 110488299
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
5-(piperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 82062834
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone (CID 141471980) is (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone is CS(=O)c1c[nH]c2cc(C(=O)N3CCNCC3)ccc12.
What is the InChIKey of (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone?
The InChIKey is ZOQMCZQGMDTHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20(19)13-9-16-12-8-10(2-3-11(12)13)14(18)17-6-4-15-5-7-17/h2-3,8-9,15-16H,4-7H2,1H3.
What are the key properties of (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone?
(3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone has a molecular weight of 291.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfinyl-1H-indol-6-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 141471980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).