1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide

C16H32N2O2S — CID 106631342

IUPAC1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-11-18(13-16-9-6-10-17-12-16)21(19,20)14-15-7-4-3-5-8-15/h15-17H,2-14H2,1H3
InChIKeyGUIKOMSFQABMJP-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.61
Rot. Bonds7

About 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide

1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide (PubChem CID 106631342) 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-propylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
PubChem CID106631342
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-11-18(13-16-9-6-10-17-12-16)21(19,20)14-15-7-4-3-5-8-15/h15-17H,2-14H2,1H3
InChIKeyGUIKOMSFQABMJP-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-propylbutane-1-sulfonamide
CID 106631296
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631368
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-cyclopropyl-N-methyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106630892
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631308
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
N-ethyl-N-(2-methoxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54971951
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide (CID 106631342) is 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide is CCCN(CC1CCCNC1)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
The InChIKey is GUIKOMSFQABMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-2-11-18(13-16-9-6-10-17-12-16)21(19,20)14-15-7-4-3-5-8-15/h15-17H,2-14H2,1H3.
What are the key properties of 1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide has a molecular weight of 316.51 g/mol, XLogP of 2.61, 7 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-propylmethanesulfonamide is sourced from PubChem (CID 106631342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).