4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

C11H19NO3S2 — CID 114132138

IUPAC4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1cc(CO)cs1
InChIInChI=1S/C11H19NO3S2/c1-8(2)4-9(3)12-17(14,15)11-5-10(6-13)7-16-11/h5,7-9,12-13H,4,6H2,1-3H3
InChIKeyJFEKJBWUUFPDRS-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.95
Rot. Bonds6

About 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide

4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (PubChem CID 114132138) has the molecular formula C11H19NO3S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
PubChem CID114132138
Molecular FormulaC11H19NO3S2
Molecular Weight277.41 g/mol
Exact Mass277.08
IUPAC Name4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(C)NS(=O)(=O)c1cc(CO)cs1
InChIInChI=1S/C11H19NO3S2/c1-8(2)4-9(3)12-17(14,15)11-5-10(6-13)7-16-11/h5,7-9,12-13H,4,6H2,1-3H3
InChIKeyJFEKJBWUUFPDRS-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
CID 106066825
4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 114142109
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide
CID 114133354
4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide
CID 114134958
4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114132125
N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide (CID 114132138) is 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is CC(C)CC(C)NS(=O)(=O)c1cc(CO)cs1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is JFEKJBWUUFPDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S2/c1-8(2)4-9(3)12-17(14,15)11-5-10(6-13)7-16-11/h5,7-9,12-13H,4,6H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide?
4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 277.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114132138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).