N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C13H22N4O3S — CID 119975801

IUPACN-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C13H22N4O3S/c1-13(2,9-14)16-21(19,20)10-7-11(15-8-10)12(18)17-5-3-4-6-17/h7-8,15-16H,3-6,9,14H2,1-2H3
InChIKeyVRIJAZSJCLPDLR-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.27
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 119975801) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID119975801
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C13H22N4O3S/c1-13(2,9-14)16-21(19,20)10-7-11(15-8-10)12(18)17-5-3-4-6-17/h7-8,15-16H,3-6,9,14H2,1-2H3
InChIKeyVRIJAZSJCLPDLR-UHFFFAOYSA-N
XLogP0.27
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119990127
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
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-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166199218

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 119975801) is N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is CC(C)(CN)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is VRIJAZSJCLPDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-13(2,9-14)16-21(19,20)10-7-11(15-8-10)12(18)17-5-3-4-6-17/h7-8,15-16H,3-6,9,14H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 119975801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).