N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride

C15H30ClN3O3S — CID 119601319

IUPACN-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-2-3-10-22(20,21)18-9-5-8-14(18)15(19)17-13-7-4-6-12(13)11-16;/h12-14H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyGHFZRXDNDPMLJT-UHFFFAOYSA-N
MW367.94 g/mol
LogP1.25
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119601319) has the molecular formula C15H30ClN3O3S and a molecular weight of 367.94 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119601319
Molecular FormulaC15H30ClN3O3S
Molecular Weight367.94 g/mol
Exact Mass367.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C15H29N3O3S.ClH/c1-2-3-10-22(20,21)18-9-5-8-14(18)15(19)17-13-7-4-6-12(13)11-16;/h12-14H,2-11,16H2,1H3,(H,17,19);1H
InChIKeyGHFZRXDNDPMLJT-UHFFFAOYSA-N
XLogP1.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
cis-(1R,3S)-3-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677771
N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119612379
N-[2-(aminomethyl)cyclopentyl]-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 119602226
N-[2-(aminomethyl)cyclopentyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119601555
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-[2-(aminomethyl)cyclopentyl]pentanamide
CID 62957090
N-[2-(aminomethyl)cyclopentyl]-1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119602784
N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119527737

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride (CID 119601319) is N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride is CCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GHFZRXDNDPMLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S.ClH/c1-2-3-10-22(20,21)18-9-5-8-14(18)15(19)17-13-7-4-6-12(13)11-16;/h12-14H,2-11,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 367.94 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119601319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).