N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride

C15H27ClN4O3S — CID 119993343

IUPACN-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-2-3-6-12(10-16)18-23(21,22)13-9-14(17-11-13)15(20)19-7-4-5-8-19;/h9,11-12,17-18H,2-8,10,16H2,1H3;1H
InChIKeyUEMNFAJKKKHVCX-UHFFFAOYSA-N
MW378.93 g/mol
LogP1.47
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride (PubChem CID 119993343) has the molecular formula C15H27ClN4O3S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
PubChem CID119993343
Molecular FormulaC15H27ClN4O3S
Molecular Weight378.93 g/mol
Exact Mass378.15
IUPAC NameN-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-2-3-6-12(10-16)18-23(21,22)13-9-14(17-11-13)15(20)19-7-4-5-8-19;/h9,11-12,17-18H,2-8,10,16H2,1H3;1H
InChIKeyUEMNFAJKKKHVCX-UHFFFAOYSA-N
XLogP1.47
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119990127
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119975801
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018895
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166199218
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
[4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006724

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride (CID 119993343) is N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
The InChIKey is UEMNFAJKKKHVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S.ClH/c1-2-3-6-12(10-16)18-23(21,22)13-9-14(17-11-13)15(20)19-7-4-5-8-19;/h9,11-12,17-18H,2-8,10,16H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119993343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).