3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide

C10H20FNO2S2 — CID 71976652

IUPAC3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)CCCF
InChIInChI=1S/C10H20FNO2S2/c1-15-10-6-3-2-5-9(10)12-16(13,14)8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyWSHBEDCDAUDOAI-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.94
Rot. Bonds6

About 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide

3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide (PubChem CID 71976652) has the molecular formula C10H20FNO2S2 and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide
PubChem CID71976652
Molecular FormulaC10H20FNO2S2
Molecular Weight269.41 g/mol
Exact Mass269.09
IUPAC Name3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)CCCF
InChIInChI=1S/C10H20FNO2S2/c1-15-10-6-3-2-5-9(10)12-16(13,14)8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyWSHBEDCDAUDOAI-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butanesulfonamide, N-cyclohexyl-
CID 47495
rac-(1R,2R)-2-methanesulfonylcyclohexan-1-amine hydrochloride
CID 119031992
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
N-cyclohexyl-1-fluoroethanesulfonamide
CID 123992888
(1R,2R)-2-Methanesulfonylcyclohexan-1-amine
CID 52271229
3-(Fluoromethylsulfonyl)cyclohexan-1-amine
CID 84720542
4-(Fluoromethylsulfonyl)cyclohexan-1-amine
CID 84720543
3-fluoro-N-[(1S,2R)-2-methylsulfanylcyclohexyl]propane-1-sulfonamide
CID 97594351
3-fluoro-N-[(1S,2S)-2-methylsulfanylcyclohexyl]propane-1-sulfonamide
CID 97594352
3-fluoro-N-[(1R,2R)-2-methylsulfanylcyclohexyl]propane-1-sulfonamide
CID 97594353
3-fluoro-N-[(1R,2S)-2-methylsulfanylcyclohexyl]propane-1-sulfonamide
CID 97594354
N-(3-fluoropropyl)-2-methylsulfonylcyclohexan-1-amine
CID 115901522

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide (CID 71976652) is 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide is CSC1CCCCC1NS(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide?
The InChIKey is WSHBEDCDAUDOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S2/c1-15-10-6-3-2-5-9(10)12-16(13,14)8-4-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide?
3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide has a molecular weight of 269.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylsulfanylcyclohexyl)propane-1-sulfonamide is sourced from PubChem (CID 71976652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).