N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride

C18H27ClN2O3S — CID 119602669

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H26N2O3S.ClH/c19-12-15-5-2-6-17(15)20-18(21)9-10-24(22,23)16-8-7-13-3-1-4-14(13)11-16;/h7-8,11,15,17H,1-6,9-10,12,19H2,(H,20,21);1H
InChIKeyNPVRGZGHLSTKQG-UHFFFAOYSA-N
MW386.95 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride (PubChem CID 119602669) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
PubChem CID119602669
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H26N2O3S.ClH/c19-12-15-5-2-6-17(15)20-18(21)9-10-24(22,23)16-8-7-13-3-1-4-14(13)11-16;/h7-8,11,15,17H,1-6,9-10,12,19H2,(H,20,21);1H
InChIKeyNPVRGZGHLSTKQG-UHFFFAOYSA-N
XLogP2.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride 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-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119601397
N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119609792
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119457125
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]propanamide
CID 97011943
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
N-[2-(aminomethyl)cyclopentyl]-3-cyclopentylsulfonylpropanamide
CID 119604432
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119461973
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride (CID 119602669) is N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
The InChIKey is NPVRGZGHLSTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S.ClH/c19-12-15-5-2-6-17(15)20-18(21)9-10-24(22,23)16-8-7-13-3-1-4-14(13)11-16;/h7-8,11,15,17H,1-6,9-10,12,19H2,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride has a molecular weight of 386.95 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride is sourced from PubChem (CID 119602669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).