5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide

C12H20N2O3S2 — CID 106000983

IUPAC5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2c[nH]c(CO)c2)CC1
InChIInChI=1S/C12H20N2O3S2/c1-18-11-4-2-9(3-5-11)14-19(16,17)12-6-10(8-15)13-7-12/h6-7,9,11,13-15H,2-5,8H2,1H3
InChIKeyKRXJZAAPOAQZDL-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.46
Rot. Bonds5

About 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide

5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106000983) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
PubChem CID106000983
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2c[nH]c(CO)c2)CC1
InChIInChI=1S/C12H20N2O3S2/c1-18-11-4-2-9(3-5-11)14-19(16,17)12-6-10(8-15)13-7-12/h6-7,9,11,13-15H,2-5,8H2,1H3
InChIKeyKRXJZAAPOAQZDL-UHFFFAOYSA-N
XLogP1.46
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106000990
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
CID 114135299
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106090779
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)pyridine-2-sulfonamide
CID 106000954
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylcyclohexyl)pyrrole-3-sulfonamide
CID 106090752
N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
CID 106014648
1-ethyl-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104655228
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide (CID 106000983) is 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide is CSC1CCC(NS(=O)(=O)c2c[nH]c(CO)c2)CC1.
What is the InChIKey of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is KRXJZAAPOAQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-18-11-4-2-9(3-5-11)14-19(16,17)12-6-10(8-15)13-7-12/h6-7,9,11,13-15H,2-5,8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106000983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).