N,N-dicyclohexylmethanesulfonamide;molecular hydrogen

C13H29NO2S — CID 162057557

IUPACN,N-dicyclohexylmethanesulfonamide;molecular hydrogen
SMILESCS(=O)(=O)N(C1CCCCC1)C1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C13H25NO2S.2H2/c1-17(15,16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h12-13H,2-11H2,1H3;2*1H
InChIKeyYZJSLKFJFWIRMX-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.41
Rot. Bonds3

About N,N-dicyclohexylmethanesulfonamide;molecular hydrogen

N,N-dicyclohexylmethanesulfonamide;molecular hydrogen (PubChem CID 162057557) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-dicyclohexylmethanesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN,N-dicyclohexylmethanesulfonamide;molecular hydrogen
PubChem CID162057557
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,N-dicyclohexylmethanesulfonamide;molecular hydrogen
SMILESCS(=O)(=O)N(C1CCCCC1)C1CCCCC1.[H][H].[H][H]
InChIInChI=1S/C13H25NO2S.2H2/c1-17(15,16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h12-13H,2-11H2,1H3;2*1H
InChIKeyYZJSLKFJFWIRMX-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexylmethanesulfonamide;molecular hydrogen?
The IUPAC name of N,N-dicyclohexylmethanesulfonamide;molecular hydrogen (CID 162057557) is N,N-dicyclohexylmethanesulfonamide;molecular hydrogen.
What is the SMILES notation for N,N-dicyclohexylmethanesulfonamide;molecular hydrogen?
The canonical SMILES for N,N-dicyclohexylmethanesulfonamide;molecular hydrogen is CS(=O)(=O)N(C1CCCCC1)C1CCCCC1.[H][H].[H][H].
What is the InChIKey of N,N-dicyclohexylmethanesulfonamide;molecular hydrogen?
The InChIKey is YZJSLKFJFWIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S.2H2/c1-17(15,16)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;/h12-13H,2-11H2,1H3;2*1H.
What are the key properties of N,N-dicyclohexylmethanesulfonamide;molecular hydrogen?
N,N-dicyclohexylmethanesulfonamide;molecular hydrogen has a molecular weight of 263.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexylmethanesulfonamide;molecular hydrogen is sourced from PubChem (CID 162057557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).