1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide

C11H22F2N2O2S — CID 79123252

IUPAC1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C11H22F2N2O2S/c1-3-8-14-9-4-6-10(7-5-9)15(2)18(16,17)11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyBVEZPLDCJOAQHD-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.78
Rot. Bonds6

About 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide

1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide (PubChem CID 79123252) has the molecular formula C11H22F2N2O2S and a molecular weight of 284.37 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
PubChem CID79123252
Molecular FormulaC11H22F2N2O2S
Molecular Weight284.37 g/mol
Exact Mass284.14
IUPAC Name1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C11H22F2N2O2S/c1-3-8-14-9-4-6-10(7-5-9)15(2)18(16,17)11(12)13/h9-11,14H,3-8H2,1-2H3
InChIKeyBVEZPLDCJOAQHD-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]propane-1-sulfonamide
CID 79122875
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-methyl-N-[4-(propylamino)cyclohexyl]piperidine-1-sulfonamide
CID 79116725
N-methyl-N-[4-(propylamino)cyclohexyl]oxane-4-sulfonamide
CID 79116727
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
CID 79116728
1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
CID 60820125
N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 79122945
1,1,3-trimethyl-3-[4-(propylamino)cyclohexyl]urea
CID 79153266
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide (CID 79123252) is 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide is CCCNC1CCC(N(C)S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide?
The InChIKey is BVEZPLDCJOAQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2S/c1-3-8-14-9-4-6-10(7-5-9)15(2)18(16,17)11(12)13/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide?
1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 79123252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).