N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide

C9H17N3O2S — CID 65193019

IUPACN-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-2-3-8(6-10)12-15(13,14)9-4-5-11-7-9/h4-5,7-8,11-12H,2-3,6,10H2,1H3
InChIKeyHKGVLLQAFYKUIR-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.42
Rot. Bonds6

About N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide

N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 65193019) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID65193019
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H17N3O2S/c1-2-3-8(6-10)12-15(13,14)9-4-5-11-7-9/h4-5,7-8,11-12H,2-3,6,10H2,1H3
InChIKeyHKGVLLQAFYKUIR-UHFFFAOYSA-N
XLogP0.42
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
CID 65193230
N-(1-aminopentan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104709300
N-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrrole-3-sulfonamide
CID 159847586
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
CID 65192667
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminopentan-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 65192969
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide (CID 65193019) is N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide is CCCC(CN)NS(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is HKGVLLQAFYKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-3-8(6-10)12-15(13,14)9-4-5-11-7-9/h4-5,7-8,11-12H,2-3,6,10H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide?
N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 65193019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).