(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide

C17H23N3O3S — CID 125141718

IUPAC(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)cc21
InChIInChI=1S/C17H23N3O3S/c1-3-8-19-9-6-13-4-5-14(11-16(13)19)18-17(21)20-10-7-15(12-20)24(2,22)23/h4-6,9,11,15H,3,7-8,10,12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyXEJGTDPLGVUBKY-HNNXBMFYSA-N
MW349.46 g/mol
LogP2.70
Rot. Bonds4

About (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide

(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide (PubChem CID 125141718) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
PubChem CID125141718
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)cc21
InChIInChI=1S/C17H23N3O3S/c1-3-8-19-9-6-13-4-5-14(11-16(13)19)18-17(21)20-10-7-15(12-20)24(2,22)23/h4-6,9,11,15H,3,7-8,10,12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyXEJGTDPLGVUBKY-HNNXBMFYSA-N
XLogP2.70
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969
2-(furan-2-yl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 126786711
(3S)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 97253653
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
N-(1-ethylindol-6-yl)pyrrolidine-1-carboxamide
CID 71874521
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
N-(3-chloro-4-methylsulfanylphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 122159559
2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
CID 99715807
3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119797067
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
3-(2-hydroxypropyl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 75509204
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide (CID 125141718) is (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide is CCCn1ccc2ccc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)cc21.
What is the InChIKey of (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is XEJGTDPLGVUBKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-8-19-9-6-13-4-5-14(11-16(13)19)18-17(21)20-10-7-15(12-20)24(2,22)23/h4-6,9,11,15H,3,7-8,10,12H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide?
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125141718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).