N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

C12H19NO3S3 — CID 106002321

IUPACN-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C12H19NO3S3/c1-2-17-12-5-3-4-11(12)13-19(15,16)10-6-9(7-14)18-8-10/h6,8,11-14H,2-5,7H2,1H3
InChIKeyRKLFFYFXQRBEIE-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.19
Rot. Bonds6

About N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide

N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 106002321) has the molecular formula C12H19NO3S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID106002321
Molecular FormulaC12H19NO3S3
Molecular Weight321.49 g/mol
Exact Mass321.05
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C12H19NO3S3/c1-2-17-12-5-3-4-11(12)13-19(15,16)10-6-9(7-14)18-8-10/h6,8,11-14H,2-5,7H2,1H3
InChIKeyRKLFFYFXQRBEIE-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

N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
5-bromo-N-(2-ethylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 113249327
5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
CID 106002911
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
5-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-3-sulfonamide
CID 114551653
4-(aminomethyl)-3-chloro-N-(2-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 106093469
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)-2-methylfuran-3-sulfonamide
CID 106093408
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide (CID 106002321) is N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is CCSC1CCCC1NS(=O)(=O)c1csc(CO)c1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is RKLFFYFXQRBEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S3/c1-2-17-12-5-3-4-11(12)13-19(15,16)10-6-9(7-14)18-8-10/h6,8,11-14H,2-5,7H2,1H3.
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide?
N-(2-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-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106002321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).