N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide

C18H25N3O3S — CID 142015059

IUPACN-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide
SMILESC[C@H]1CCN(C(=O)c2cccc3ccn(CCCNS(C)(=O)=O)c23)C1
InChIInChI=1S/C18H25N3O3S/c1-14-7-11-21(13-14)18(22)16-6-3-5-15-8-12-20(17(15)16)10-4-9-19-25(2,23)24/h3,5-6,8,12,14,19H,4,7,9-11,13H2,1-2H3/t14-/m0/s1
InChIKeyYZSPSCFTHBTNQX-AWEZNQCLSA-N
MW363.48 g/mol
LogP2.06
Rot. Bonds6

About N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide

N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide (PubChem CID 142015059) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide
PubChem CID142015059
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide
SMILESC[C@H]1CCN(C(=O)c2cccc3ccn(CCCNS(C)(=O)=O)c23)C1
InChIInChI=1S/C18H25N3O3S/c1-14-7-11-21(13-14)18(22)16-6-3-5-15-8-12-20(17(15)16)10-4-9-19-25(2,23)24/h3,5-6,8,12,14,19H,4,7,9-11,13H2,1-2H3/t14-/m0/s1
InChIKeyYZSPSCFTHBTNQX-AWEZNQCLSA-N
XLogP2.06
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]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

1-ethyl-4-(4-fluorophenyl)piperidine;[1-(2-hydroxyethyl)indol-7-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone;thiophene
CID 142015574
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
CID 102911584
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-[1-(3-methoxypropyl)indol-7-yl]methanone
CID 142015036
(4-aminopiperidin-1-yl)-(1-methylindol-7-yl)methanone
CID 112531165
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-7-carboxylic acid
CID 70163739
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
(3-aminopiperidin-1-yl)-(1-methylindol-7-yl)methanone
CID 112531045
(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62235507
3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene
CID 142015578
ethyl N-[3-[7-[(3S,4R)-3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propyl]carbamate
CID 18713515
[3-cyclopropyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-[1-(3-methoxypropyl)indol-7-yl]methanone
CID 22624468

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide (CID 142015059) is N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide is C[C@H]1CCN(C(=O)c2cccc3ccn(CCCNS(C)(=O)=O)c23)C1.
What is the InChIKey of N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide?
The InChIKey is YZSPSCFTHBTNQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14-7-11-21(13-14)18(22)16-6-3-5-15-8-12-20(17(15)16)10-4-9-19-25(2,23)24/h3,5-6,8,12,14,19H,4,7,9-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide?
N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[(3S)-3-methylpyrrolidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 142015059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).