2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide

C14H23NO3S2 — CID 102750136

IUPAC2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H23NO3S2/c1-9-8-19-10(7-16)12(9)20(17,18)15-6-11-13(2,3)14(11,4)5/h8,11,15-16H,6-7H2,1-5H3
InChIKeyTVRABYJFFZJNJG-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.51
Rot. Bonds5

About 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide

2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide (PubChem CID 102750136) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
PubChem CID102750136
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC Name2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H23NO3S2/c1-9-8-19-10(7-16)12(9)20(17,18)15-6-11-13(2,3)14(11,4)5/h8,11,15-16H,6-7H2,1-5H3
InChIKeyTVRABYJFFZJNJG-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
CID 107980210
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide (CID 102750136) is 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide?
The InChIKey is TVRABYJFFZJNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-9-8-19-10(7-16)12(9)20(17,18)15-6-11-13(2,3)14(11,4)5/h8,11,15-16H,6-7H2,1-5H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102750136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).