N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

C12H19NO3S3 — CID 106001330

IUPACN-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2csc(CO)c2)C1
InChIInChI=1S/C12H19NO3S3/c1-2-17-10-4-3-9(5-10)13-19(15,16)12-6-11(7-14)18-8-12/h6,8-10,13-14H,2-5,7H2,1H3
InChIKeyGYDKWOQINBAXSC-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.19
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 106001330) has the molecular formula C12H19NO3S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID106001330
Molecular FormulaC12H19NO3S3
Molecular Weight321.49 g/mol
Exact Mass321.05
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2csc(CO)c2)C1
InChIInChI=1S/C12H19NO3S3/c1-2-17-10-4-3-9(5-10)13-19(15,16)12-6-11(7-14)18-8-12/h6,8-10,13-14H,2-5,7H2,1H3
InChIKeyGYDKWOQINBAXSC-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-3-sulfonamide
CID 114551653
N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106002321
N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106092174
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091565

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (CID 106001330) is N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is CCSC1CCC(NS(=O)(=O)c2csc(CO)c2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is GYDKWOQINBAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S3/c1-2-17-10-4-3-9(5-10)13-19(15,16)12-6-11(7-14)18-8-12/h6,8-10,13-14H,2-5,7H2,1H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106001330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).