N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride

C17H28ClN3O3S — CID 119527737

IUPACN-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-2-3-12-24(22,23)20-11-7-10-16(20)17(21)19-13-15(18)14-8-5-4-6-9-14;/h4-6,8-9,15-16H,2-3,7,10-13,18H2,1H3,(H,19,21);1H
InChIKeySENZHWHMDFNMOQ-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.82
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119527737) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119527737
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-2-3-12-24(22,23)20-11-7-10-16(20)17(21)19-13-15(18)14-8-5-4-6-9-14;/h4-6,8-9,15-16H,2-3,7,10-13,18H2,1H3,(H,19,21);1H
InChIKeySENZHWHMDFNMOQ-UHFFFAOYSA-N
XLogP1.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
N-(2-amino-2-phenylethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 119528962
2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 18509091
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
CID 119529228
1-butylsulfonyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119500648
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
(2R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 98686003
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119496331
N-[2-(1-benzothiophen-3-yl)ethyl]-1-butylsulfonylpyrrolidine-2-carboxamide
CID 87005765
N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119529034

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride (CID 119527737) is N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride is CCCCS(=O)(=O)N1CCCC1C(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SENZHWHMDFNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-2-3-12-24(22,23)20-11-7-10-16(20)17(21)19-13-15(18)14-8-5-4-6-9-14;/h4-6,8-9,15-16H,2-3,7,10-13,18H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119527737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).