N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

C10H18F3NO2S — CID 61383788

IUPACN-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-2-6-17(15,16)14-9-5-3-4-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyULQGPGMGYZCWMD-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.44
Rot. Bonds4

About N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 61383788) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID61383788
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-2-6-17(15,16)14-9-5-3-4-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyULQGPGMGYZCWMD-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11369654
cis-(1S,3R)-N-[(2R)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429831
N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920322
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
(2R,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11564958
(3S)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11579592
3-Amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11608402
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
(2S,3R)-3-amino-3-cyclohexyl-2-fluoropropane-1-sulfonic acid
CID 11651638

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (CID 61383788) is N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is ULQGPGMGYZCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-2-6-17(15,16)14-9-5-3-4-8(7-9)10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 61383788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).