N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide

C19H29N3O3S — CID 110247073

IUPACN-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CCN1CCc2ccccc21
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)20-12-9-17-7-4-5-13-22(17)19(23)11-15-21-14-10-16-6-2-3-8-18(16)21/h2-3,6,8,17,20H,4-5,7,9-15H2,1H3
InChIKeyNRGFJHYHSFEVAZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.76
Rot. Bonds7

About N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 110247073) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID110247073
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC1CCCCN1C(=O)CCN1CCc2ccccc21
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)20-12-9-17-7-4-5-13-22(17)19(23)11-15-21-14-10-16-6-2-3-8-18(16)21/h2-3,6,8,17,20H,4-5,7,9-15H2,1H3
InChIKeyNRGFJHYHSFEVAZ-UHFFFAOYSA-N
XLogP1.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide 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

N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634296
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009534
3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106186
N-[2-[1-(2-amino-3-methylpentanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 60964211
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073250
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 110247073) is N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCC1CCCCN1C(=O)CCN1CCc2ccccc21.
What is the InChIKey of N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is NRGFJHYHSFEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-26(24,25)20-12-9-17-7-4-5-13-22(17)19(23)11-15-21-14-10-16-6-2-3-8-18(16)21/h2-3,6,8,17,20H,4-5,7,9-15H2,1H3.
What are the key properties of N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 110247073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).