N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide

C11H23NO2S — CID 64749002

IUPACN-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
SMILESCC1CCC(NS(=O)(=O)C(C)C)CC1C
InChIInChI=1S/C11H23NO2S/c1-8(2)15(13,14)12-11-6-5-9(3)10(4)7-11/h8-12H,5-7H2,1-4H3
InChIKeyQNOJPCCJFUNBLG-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.14
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide

N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide (PubChem CID 64749002) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
PubChem CID64749002
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
SMILESCC1CCC(NS(=O)(=O)C(C)C)CC1C
InChIInChI=1S/C11H23NO2S/c1-8(2)15(13,14)12-11-6-5-9(3)10(4)7-11/h8-12H,5-7H2,1-4H3
InChIKeyQNOJPCCJFUNBLG-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide (CID 64749002) is N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide is CC1CCC(NS(=O)(=O)C(C)C)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide?
The InChIKey is QNOJPCCJFUNBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-8(2)15(13,14)12-11-6-5-9(3)10(4)7-11/h8-12H,5-7H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide?
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 64749002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).