1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide

C14H24N2O3S2 — CID 106002484

IUPAC1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1cc(CO)n(C2CC2)c1
InChIInChI=1S/C14H24N2O3S2/c1-20-8-4-2-3-7-15-21(18,19)14-9-13(11-17)16(10-14)12-5-6-12/h9-10,12,15,17H,2-8,11H2,1H3
InChIKeyYXPAYAFGKPHKAC-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.13
Rot. Bonds10

About 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide

1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide (PubChem CID 106002484) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
PubChem CID106002484
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1cc(CO)n(C2CC2)c1
InChIInChI=1S/C14H24N2O3S2/c1-20-8-4-2-3-7-15-21(18,19)14-9-13(11-17)16(10-14)12-5-6-12/h9-10,12,15,17H,2-8,11H2,1H3
InChIKeyYXPAYAFGKPHKAC-UHFFFAOYSA-N
XLogP2.13
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106093650
1-methyl-4-(4-methylsulfanylbutylsulfamoyl)pyrrole-2-carboxylic acid
CID 113437792
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106078027
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
3-hydroxy-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 114128483
1-cyclopropyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106082155
5-(hydroxymethyl)-2-methyl-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106002448
2-chloro-5-(4-methylsulfanylbutylsulfamoyl)benzoic acid
CID 104655035
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
5-(chloromethyl)-1-cyclopropyl-N-methyl-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 112667074

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide (CID 106002484) is 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide is CSCCCCCNS(=O)(=O)c1cc(CO)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
The InChIKey is YXPAYAFGKPHKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-20-8-4-2-3-7-15-21(18,19)14-9-13(11-17)16(10-14)12-5-6-12/h9-10,12,15,17H,2-8,11H2,1H3.
What are the key properties of 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide?
1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(hydroxymethyl)-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106002484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).