N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride

C17H30ClN5O3S — CID 119568257

IUPACN-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2(CN)CCCC2)C1.Cl
InChIInChI=1S/C17H29N5O3S.ClH/c1-12-15(13(2)21-20-12)26(24,25)22-9-5-6-14(10-22)16(23)19-17(11-18)7-3-4-8-17;/h14H,3-11,18H2,1-2H3,(H,19,23)(H,20,21);1H
InChIKeyBLIRNJHQEGFILR-UHFFFAOYSA-N
MW419.98 g/mol
LogP1.24
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119568257) has the molecular formula C17H30ClN5O3S and a molecular weight of 419.98 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119568257
Molecular FormulaC17H30ClN5O3S
Molecular Weight419.98 g/mol
Exact Mass419.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2(CN)CCCC2)C1.Cl
InChIInChI=1S/C17H29N5O3S.ClH/c1-12-15(13(2)21-20-12)26(24,25)22-9-5-6-14(10-22)16(23)19-17(11-18)7-3-4-8-17;/h14H,3-11,18H2,1-2H3,(H,19,23)(H,20,21);1H
InChIKeyBLIRNJHQEGFILR-UHFFFAOYSA-N
XLogP1.24
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 119588598
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119514471
N-[1-(aminomethyl)cyclopentyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119568233
N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119585021
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465
4-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 119352502
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335778

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride (CID 119568257) is N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NC2(CN)CCCC2)C1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BLIRNJHQEGFILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S.ClH/c1-12-15(13(2)21-20-12)26(24,25)22-9-5-6-14(10-22)16(23)19-17(11-18)7-3-4-8-17;/h14H,3-11,18H2,1-2H3,(H,19,23)(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 419.98 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119568257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).