2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide

C12H21NO3S2 — CID 102749704

IUPAC2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C12H21NO3S2/c1-5-10(6-2)13(4)18(15,16)12-9(3)8-17-11(12)7-14/h8,10,14H,5-7H2,1-4H3
InChIKeyWOGVDXJVJQWGAD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.36
Rot. Bonds6

About 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide

2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide (PubChem CID 102749704) has the molecular formula C12H21NO3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide
PubChem CID102749704
Molecular FormulaC12H21NO3S2
Molecular Weight291.44 g/mol
Exact Mass291.10
IUPAC Name2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C12H21NO3S2/c1-5-10(6-2)13(4)18(15,16)12-9(3)8-17-11(12)7-14/h8,10,14H,5-7H2,1-4H3
InChIKeyWOGVDXJVJQWGAD-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733005
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734534
5-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65735695
5-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65736078
5-(hydroxymethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65737614
2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749725
2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749770
N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749894
N-cyclopropyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749901
2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749903
2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749904
2-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 102750108

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide (CID 102749704) is 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide is CCC(CC)N(C)S(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide?
The InChIKey is WOGVDXJVJQWGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S2/c1-5-10(6-2)13(4)18(15,16)12-9(3)8-17-11(12)7-14/h8,10,14H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide?
2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,4-dimethyl-N-pentan-3-ylthiophene-3-sulfonamide is sourced from PubChem (CID 102749704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).