1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide

C14H24N2O3S2 — CID 106000807

IUPAC1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(SC)CCCC2)cc1CO
InChIInChI=1S/C14H24N2O3S2/c1-3-16-9-13(8-12(16)10-17)21(18,19)15-11-14(20-2)6-4-5-7-14/h8-9,15,17H,3-7,10-11H2,1-2H3
InChIKeyHCJNCMYAONSVQS-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.95
Rot. Bonds7

About 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide

1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide (PubChem CID 106000807) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
PubChem CID106000807
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(SC)CCCC2)cc1CO
InChIInChI=1S/C14H24N2O3S2/c1-3-16-9-13(8-12(16)10-17)21(18,19)15-11-14(20-2)6-4-5-7-14/h8-9,15,17H,3-7,10-11H2,1-2H3
InChIKeyHCJNCMYAONSVQS-UHFFFAOYSA-N
XLogP1.95
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(1-methylsulfanylcyclobutyl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 107266395
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
CID 106000766
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001861
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(aminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1-propan-2-ylpyrrole-3-sulfonamide
CID 106093306
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 106002257
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
1-ethyl-5-(hydroxymethyl)-N-(5,5,5-trifluoropentyl)pyrrole-3-sulfonamide
CID 115522721

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide (CID 106000807) is 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCC2(SC)CCCC2)cc1CO.
What is the InChIKey of 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
The InChIKey is HCJNCMYAONSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-3-16-9-13(8-12(16)10-17)21(18,19)15-11-14(20-2)6-4-5-7-14/h8-9,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide?
1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106000807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).