N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide

C9H18F2N2O2S — CID 61124961

IUPACN-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
SMILESNCC(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H18F2N2O2S/c10-9(11)16(14,15)13-8(6-12)7-4-2-1-3-5-7/h7-9,13H,1-6,12H2
InChIKeyXBMDQXARTOWIDQ-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.04
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide

N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide (PubChem CID 61124961) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
PubChem CID61124961
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide
SMILESNCC(NS(=O)(=O)C(F)F)C1CCCCC1
InChIInChI=1S/C9H18F2N2O2S/c10-9(11)16(14,15)13-8(6-12)7-4-2-1-3-5-7/h7-9,13H,1-6,12H2
InChIKeyXBMDQXARTOWIDQ-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Cyclohexylmethyl)trifluoromethanesulfonamide
CID 67477256
(R,R) N-(1,2-Dicyclohexyl-2-trifluoromethanesulfonylamino-ethyl9-C,C,C-trifluoro-methanesulfonamide
CID 139189976
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
3-Amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11694544
(3R)-3-amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11708674
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
1,1,1-trifluoro-N-(4-methylcyclohexyl)methanesulfonamide
CID 58427698
1,1,1-trifluoro-N-(4-propan-2-ylcyclohexyl)methanesulfonamide
CID 58689137
(3S)-3-amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 58691845
(3S)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 58691942
1,1,1-trifluoro-N-[(1S,2R)-2-methylcyclohexyl]methanesulfonamide
CID 71026178

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide (CID 61124961) is N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide is NCC(NS(=O)(=O)C(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is XBMDQXARTOWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c10-9(11)16(14,15)13-8(6-12)7-4-2-1-3-5-7/h7-9,13H,1-6,12H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide?
N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).