4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide

C11H17NO3S2 — CID 114134958

IUPAC4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1cc(CO)cs1
InChIInChI=1S/C11H17NO3S2/c1-8-3-2-4-10(8)12-17(14,15)11-5-9(6-13)7-16-11/h5,7-8,10,12-13H,2-4,6H2,1H3
InChIKeyKYKKCQRFODFJDW-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.71
Rot. Bonds4

About 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide

4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide (PubChem CID 114134958) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide
PubChem CID114134958
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1cc(CO)cs1
InChIInChI=1S/C11H17NO3S2/c1-8-3-2-4-10(8)12-17(14,15)11-5-9(6-13)7-16-11/h5,7-8,10,12-13H,2-4,6H2,1H3
InChIKeyKYKKCQRFODFJDW-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114132125
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114138567
5-[(2-methylcyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63281765
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314452
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114132138
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide (CID 114134958) is 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide is CC1CCCC1NS(=O)(=O)c1cc(CO)cs1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide?
The InChIKey is KYKKCQRFODFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-8-3-2-4-10(8)12-17(14,15)11-5-9(6-13)7-16-11/h5,7-8,10,12-13H,2-4,6H2,1H3.
What are the key properties of 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide?
4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114134958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).