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

C11H17NO3S3 — CID 106000847

IUPAC5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2csc(CO)c2)CCC1
InChIInChI=1S/C11H17NO3S3/c1-16-11(3-2-4-11)8-12-18(14,15)10-5-9(6-13)17-7-10/h5,7,12-13H,2-4,6,8H2,1H3
InChIKeyBQOGLRRUEVXNEG-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.80
Rot. Bonds6

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

5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide (PubChem CID 106000847) has the molecular formula C11H17NO3S3 and a molecular weight of 307.46 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
PubChem CID106000847
Molecular FormulaC11H17NO3S3
Molecular Weight307.46 g/mol
Exact Mass307.04
IUPAC Name5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2csc(CO)c2)CCC1
InChIInChI=1S/C11H17NO3S3/c1-16-11(3-2-4-11)8-12-18(14,15)10-5-9(6-13)17-7-10/h5,7,12-13H,2-4,6,8H2,1H3
InChIKeyBQOGLRRUEVXNEG-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 106002257
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
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
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-[(1-methylsulfanylcyclobutyl)methylsulfamoyl]benzoic acid
CID 107266400
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide (CID 106000847) is 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide is CSC1(CNS(=O)(=O)c2csc(CO)c2)CCC1.
What is the InChIKey of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
The InChIKey is BQOGLRRUEVXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S3/c1-16-11(3-2-4-11)8-12-18(14,15)10-5-9(6-13)17-7-10/h5,7,12-13H,2-4,6,8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 1.80, 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-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106000847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).