1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide

C12H25FN2O2S — CID 71057771

IUPAC1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
SMILESCN(C(C)(C)CF)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H25FN2O2S/c1-11(2,9-13)15(3)18(16,17)10-12(14)7-5-4-6-8-12/h4-10,14H2,1-3H3
InChIKeyZWALBCRIUNKGNY-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.66
Rot. Bonds5

About 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide

1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide (PubChem CID 71057771) has the molecular formula C12H25FN2O2S and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
PubChem CID71057771
Molecular FormulaC12H25FN2O2S
Molecular Weight280.41 g/mol
Exact Mass280.16
IUPAC Name1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide
SMILESCN(C(C)(C)CF)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H25FN2O2S/c1-11(2,9-13)15(3)18(16,17)10-12(14)7-5-4-6-8-12/h4-10,14H2,1-3H3
InChIKeyZWALBCRIUNKGNY-UHFFFAOYSA-N
XLogP1.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide (CID 71057771) is 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide is CN(C(C)(C)CF)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
The InChIKey is ZWALBCRIUNKGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O2S/c1-11(2,9-13)15(3)18(16,17)10-12(14)7-5-4-6-8-12/h4-10,14H2,1-3H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide has a molecular weight of 280.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 71057771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).