N-(3,3-dimethylcyclohexyl)methanesulfonamide

C9H19NO2S — CID 58806263

IUPACN-(3,3-dimethylcyclohexyl)methanesulfonamide
SMILESCC1(C)CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2)6-4-5-8(7-9)10-13(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyMPUBEWJHSCOMLD-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.50
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)methanesulfonamide

N-(3,3-dimethylcyclohexyl)methanesulfonamide (PubChem CID 58806263) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)methanesulfonamide
PubChem CID58806263
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(3,3-dimethylcyclohexyl)methanesulfonamide
SMILESCC1(C)CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C9H19NO2S/c1-9(2)6-4-5-8(7-9)10-13(3,11)12/h8,10H,4-7H2,1-3H3
InChIKeyMPUBEWJHSCOMLD-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)methanesulfonamide (CID 58806263) is N-(3,3-dimethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)methanesulfonamide is CC1(C)CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)methanesulfonamide?
The InChIKey is MPUBEWJHSCOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2)6-4-5-8(7-9)10-13(3,11)12/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclohexyl)methanesulfonamide?
N-(3,3-dimethylcyclohexyl)methanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 58806263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).