N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

C17H24N4O4S — CID 119604999

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESNCC1CCCC1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C17H24N4O4S/c18-10-13-4-2-6-15(13)20-17(23)12-3-1-5-14(9-12)26(24,25)21-8-7-19-16(22)11-21/h1,3,5,9,13,15H,2,4,6-8,10-11,18H2,(H,19,22)(H,20,23)
InChIKeyLQGPLBCANMAJCB-UHFFFAOYSA-N
MW380.47 g/mol
LogP-0.34
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide

N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (PubChem CID 119604999) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
PubChem CID119604999
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
SMILESNCC1CCCC1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C17H24N4O4S/c18-10-13-4-2-6-15(13)20-17(23)12-3-1-5-14(9-12)26(24,25)21-8-7-19-16(22)11-21/h1,3,5,9,13,15H,2,4,6-8,10-11,18H2,(H,19,22)(H,20,23)
InChIKeyLQGPLBCANMAJCB-UHFFFAOYSA-N
XLogP-0.34
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119603567
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422
4-[3-[2-(aminomethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 119469574
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzamide
CID 39999846
N-[2-(aminomethyl)cyclopentyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119602518
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-piperidin-3-ylethyl)benzamide
CID 119559224
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-(1-amino-4-methylpentan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119588607
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55556849
4-[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 167802193
N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide (CID 119604999) is N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is NCC1CCCC1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
The InChIKey is LQGPLBCANMAJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c18-10-13-4-2-6-15(13)20-17(23)12-3-1-5-14(9-12)26(24,25)21-8-7-19-16(22)11-21/h1,3,5,9,13,15H,2,4,6-8,10-11,18H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide has a molecular weight of 380.47 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 119604999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).