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

C14H24N2O3S — CID 106001030

IUPAC5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2cc(CO)n(C)c2)C1
InChIInChI=1S/C14H24N2O3S/c1-11-4-3-5-12(6-11)8-15-20(18,19)14-7-13(10-17)16(2)9-14/h7,9,11-12,15,17H,3-6,8,10H2,1-2H3
InChIKeyOANHBNAKYWGECZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.62
Rot. Bonds5

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

5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide (PubChem CID 106001030) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
PubChem CID106001030
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2cc(CO)n(C)c2)C1
InChIInChI=1S/C14H24N2O3S/c1-11-4-3-5-12(6-11)8-15-20(18,19)14-7-13(10-17)16(2)9-14/h7,9,11-12,15,17H,3-6,8,10H2,1-2H3
InChIKeyOANHBNAKYWGECZ-UHFFFAOYSA-N
XLogP1.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
CID 106027525
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107460565
4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 66004509

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide (CID 106001030) is 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide is CC1CCCC(CNS(=O)(=O)c2cc(CO)n(C)c2)C1.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide?
The InChIKey is OANHBNAKYWGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11-4-3-5-12(6-11)8-15-20(18,19)14-7-13(10-17)16(2)9-14/h7,9,11-12,15,17H,3-6,8,10H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106001030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).