5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide

C10H15NO3S3 — CID 106002257

IUPAC5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2csc(CO)c2)CC1
InChIInChI=1S/C10H15NO3S3/c1-15-10(2-3-10)7-11-17(13,14)9-4-8(5-12)16-6-9/h4,6,11-12H,2-3,5,7H2,1H3
InChIKeyGRYXVRABDIGGSL-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.41
Rot. Bonds6

About 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide

5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide (PubChem CID 106002257) has the molecular formula C10H15NO3S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
PubChem CID106002257
Molecular FormulaC10H15NO3S3
Molecular Weight293.44 g/mol
Exact Mass293.02
IUPAC Name5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2csc(CO)c2)CC1
InChIInChI=1S/C10H15NO3S3/c1-15-10(2-3-10)7-11-17(13,14)9-4-8(5-12)16-6-9/h4,6,11-12H,2-3,5,7H2,1H3
InChIKeyGRYXVRABDIGGSL-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090614
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-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114136202
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
CID 106000766
1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106000807
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-bromo-2-fluoro-3-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106002264

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide (CID 106002257) is 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide is CSC1(CNS(=O)(=O)c2csc(CO)c2)CC1.
What is the InChIKey of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide?
The InChIKey is GRYXVRABDIGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S3/c1-15-10(2-3-10)7-11-17(13,14)9-4-8(5-12)16-6-9/h4,6,11-12H,2-3,5,7H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide has a molecular weight of 293.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106002257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).