N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide

C16H32N2O2S — CID 124828912

IUPACN-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C[C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C16H32N2O2S/c1-4-21(19,20)17(3)16-9-11-18(12-10-16)13-15-8-6-5-7-14(15)2/h14-16H,4-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyRKUVZJIJPDPHIP-CABCVRRESA-N
MW316.51 g/mol
LogP2.56
Rot. Bonds5

About N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide

N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 124828912) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide
PubChem CID124828912
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C[C@@H]2CCCC[C@H]2C)CC1
InChIInChI=1S/C16H32N2O2S/c1-4-21(19,20)17(3)16-9-11-18(12-10-16)13-15-8-6-5-7-14(15)2/h14-16H,4-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyRKUVZJIJPDPHIP-CABCVRRESA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide with MolForge

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Related Compounds

N,N-dimethyl-1-[(2-methylcyclohexyl)methyl]piperidin-4-amine
CID 163161369
N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
CID 58035050
N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
CID 123333446
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-4-amine
CID 107418810
N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 60643282
methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate
CID 124828899
1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 83092528
N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 167837979
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907
N-methyl-N-(4-methylcyclohexyl)pyrrolidine-1-sulfonamide
CID 128925390
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766
N-methyl-N-(2-methylcyclohexyl)propane-1-sulfonamide
CID 64541626

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide (CID 124828912) is N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C[C@@H]2CCCC[C@H]2C)CC1.
What is the InChIKey of N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is RKUVZJIJPDPHIP-CABCVRRESA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-21(19,20)17(3)16-9-11-18(12-10-16)13-15-8-6-5-7-14(15)2/h14-16H,4-13H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 316.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 124828912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).