N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide

C17H30F2N2O3S — CID 99819052

IUPACN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide
SMILESCC1(C)CCCC[C@@H]1CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C17H30F2N2O3S/c1-17(2)8-4-3-5-14(17)11-15(22)20-12-13-6-9-21(10-7-13)25(23,24)16(18)19/h13-14,16H,3-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyQKXSCGWCRMVBEC-CQSZACIVSA-N
MW380.50 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide (PubChem CID 99819052) has the molecular formula C17H30F2N2O3S and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide
PubChem CID99819052
Molecular FormulaC17H30F2N2O3S
Molecular Weight380.50 g/mol
Exact Mass380.19
IUPAC NameN-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide
SMILESCC1(C)CCCC[C@@H]1CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C17H30F2N2O3S/c1-17(2)8-4-3-5-14(17)11-15(22)20-12-13-6-9-21(10-7-13)25(23,24)16(18)19/h13-14,16H,3-12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyQKXSCGWCRMVBEC-CQSZACIVSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-(2,2-dimethylcyclohexyl)acetamide
CID 126770226
2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 164631415
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 119785758
(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
CID 119324850
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbutanamide
CID 119785752
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
4-acetyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 119160245
1-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 119129581
3-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methylamino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 154865668
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119324843
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 84583924
2-[[N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119148662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide?
The IUPAC name of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide (CID 99819052) is N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide?
The canonical SMILES for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide is CC1(C)CCCC[C@@H]1CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide?
The InChIKey is QKXSCGWCRMVBEC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30F2N2O3S/c1-17(2)8-4-3-5-14(17)11-15(22)20-12-13-6-9-21(10-7-13)25(23,24)16(18)19/h13-14,16H,3-12H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide?
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 99819052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).