1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide

C11H22FNO2S — CID 163584577

IUPAC1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1CCC(C)C(F)C1
InChIInChI=1S/C11H22FNO2S/c1-8(2)13-16(14,15)7-10-5-4-9(3)11(12)6-10/h8-11,13H,4-7H2,1-3H3
InChIKeyGKKYMSHQAPEJTI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds4

About 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide

1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 163584577) has the molecular formula C11H22FNO2S and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
PubChem CID163584577
Molecular FormulaC11H22FNO2S
Molecular Weight251.37 g/mol
Exact Mass251.14
IUPAC Name1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)CC1CCC(C)C(F)C1
InChIInChI=1S/C11H22FNO2S/c1-8(2)13-16(14,15)7-10-5-4-9(3)11(12)6-10/h8-11,13H,4-7H2,1-3H3
InChIKeyGKKYMSHQAPEJTI-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[(2S)-but-3-yn-2-yl]-1-cyclohexylmethanesulfonamide
CID 99718746
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
1-(4-fluorocyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164015551
1-(2-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164018635
N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 172528636
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499
N-[3-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355500
N-[2-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355849
N-[2-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355850
N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61356176

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide (CID 163584577) is 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)CC1CCC(C)C(F)C1.
What is the InChIKey of 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is GKKYMSHQAPEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2S/c1-8(2)13-16(14,15)7-10-5-4-9(3)11(12)6-10/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide?
1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 251.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 163584577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).