5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide

C12H19NO3S3 — CID 97414702

IUPAC5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)s1
InChIInChI=1S/C12H19NO3S3/c1-3-10-4-5-11(18-10)19(14,15)13-8-12(16-2)6-7-17-9-12/h4-5,13H,3,6-9H2,1-2H3/t12-/m0/s1
InChIKeyZLNFBCNHOMONRE-LBPRGKRZSA-N
MW321.49 g/mol
LogP2.11
Rot. Bonds6

About 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide

5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 97414702) has the molecular formula C12H19NO3S3 and a molecular weight of 321.49 g/mol. Its IUPAC name is 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID97414702
Molecular FormulaC12H19NO3S3
Molecular Weight321.49 g/mol
Exact Mass321.05
IUPAC Name5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)s1
InChIInChI=1S/C12H19NO3S3/c1-3-10-4-5-11(18-10)19(14,15)13-8-12(16-2)6-7-17-9-12/h4-5,13H,3,6-9H2,1-2H3/t12-/m0/s1
InChIKeyZLNFBCNHOMONRE-LBPRGKRZSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584402
3-chloro-4-methoxy-N-[[(3S)-3-methoxythiolan-3-yl]methyl]benzenesulfonamide
CID 97414736
methyl 4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]benzoate
CID 97414750
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97414697
2-(4-methoxyphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]ethanesulfonamide
CID 97414730
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide (CID 97414702) is 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)s1.
What is the InChIKey of 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is ZLNFBCNHOMONRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO3S3/c1-3-10-4-5-11(18-10)19(14,15)13-8-12(16-2)6-7-17-9-12/h4-5,13H,3,6-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97414702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).