5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide

C11H17NO3S3 — CID 114136202

IUPAC5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(CCO)s2)CC1
InChIInChI=1S/C11H17NO3S3/c1-16-11(5-6-11)8-12-18(14,15)10-3-2-9(17-10)4-7-13/h2-3,12-13H,4-8H2,1H3
InChIKeyAIXMAGQRKZWNEE-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.46
Rot. Bonds7

About 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide

5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide (PubChem CID 114136202) has the molecular formula C11H17NO3S3 and a molecular weight of 307.46 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
PubChem CID114136202
Molecular FormulaC11H17NO3S3
Molecular Weight307.46 g/mol
Exact Mass307.04
IUPAC Name5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2ccc(CCO)s2)CC1
InChIInChI=1S/C11H17NO3S3/c1-16-11(5-6-11)8-12-18(14,15)10-3-2-9(17-10)4-7-13/h2-3,12-13H,4-8H2,1H3
InChIKeyAIXMAGQRKZWNEE-UHFFFAOYSA-N
XLogP1.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 106002257
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000848
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114115798
5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 80743832
2,4-difluoro-3-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106002246
4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 114117389
5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114135147
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide (CID 114136202) is 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide is CSC1(CNS(=O)(=O)c2ccc(CCO)s2)CC1.
What is the InChIKey of 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide?
The InChIKey is AIXMAGQRKZWNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S3/c1-16-11(5-6-11)8-12-18(14,15)10-3-2-9(17-10)4-7-13/h2-3,12-13H,4-8H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide?
5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114136202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).