N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride

C15H27ClN4O3S — CID 119990127

IUPACN-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-3-15(16,4-2)11-18-23(21,22)12-9-13(17-10-12)14(20)19-7-5-6-8-19;/h9-10,17-18H,3-8,11,16H2,1-2H3;1H
InChIKeyPQVLDYBLEQDMFV-UHFFFAOYSA-N
MW378.93 g/mol
LogP1.47
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride (PubChem CID 119990127) has the molecular formula C15H27ClN4O3S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
PubChem CID119990127
Molecular FormulaC15H27ClN4O3S
Molecular Weight378.93 g/mol
Exact Mass378.15
IUPAC NameN-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-3-15(16,4-2)11-18-23(21,22)12-9-13(17-10-12)14(20)19-7-5-6-8-19;/h9-10,17-18H,3-8,11,16H2,1-2H3;1H
InChIKeyPQVLDYBLEQDMFV-UHFFFAOYSA-N
XLogP1.47
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119975801
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166199218
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880
[4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006724
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride (CID 119990127) is N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The InChIKey is PQVLDYBLEQDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S.ClH/c1-3-15(16,4-2)11-18-23(21,22)12-9-13(17-10-12)14(20)19-7-5-6-8-19;/h9-10,17-18H,3-8,11,16H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119990127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).