1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide

C16H32N2O2S — CID 106630965

IUPAC1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-14(2)18(12-16-9-6-10-17-11-16)21(19,20)13-15-7-4-3-5-8-15/h14-17H,3-13H2,1-2H3
InChIKeyHUABTTUSKAMSIY-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.61
Rot. Bonds6

About 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide

1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 106630965) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID106630965
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-14(2)18(12-16-9-6-10-17-11-16)21(19,20)13-15-7-4-3-5-8-15/h14-17H,3-13H2,1-2H3
InChIKeyHUABTTUSKAMSIY-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
3-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-1-sulfonamide
CID 106630987
methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
CID 106630937
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide (CID 106630965) is 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CC1CCCNC1)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is HUABTTUSKAMSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-14(2)18(12-16-9-6-10-17-11-16)21(19,20)13-15-7-4-3-5-8-15/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide?
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 316.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 106630965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).