(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide

C14H29NO2S — CID 99807775

IUPAC(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide
SMILESCCC[C@@H](C)CS(=O)(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C14H29NO2S/c1-5-6-13(3)11-18(16,17)15(4)14-9-7-12(2)8-10-14/h12-14H,5-11H2,1-4H3/t12?,13-,14?/m1/s1
InChIKeyJUQMWGATTGYCIG-ROKHWSDSSA-N
MW275.46 g/mol
LogP3.26
Rot. Bonds6

About (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide

(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide (PubChem CID 99807775) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide
PubChem CID99807775
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide
SMILESCCC[C@@H](C)CS(=O)(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C14H29NO2S/c1-5-6-13(3)11-18(16,17)15(4)14-9-7-12(2)8-10-14/h12-14H,5-11H2,1-4H3/t12?,13-,14?/m1/s1
InChIKeyJUQMWGATTGYCIG-ROKHWSDSSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
The IUPAC name of (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide (CID 99807775) is (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide.
What is the SMILES notation for (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
The canonical SMILES for (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide is CCC[C@@H](C)CS(=O)(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
The InChIKey is JUQMWGATTGYCIG-ROKHWSDSSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-6-13(3)11-18(16,17)15(4)14-9-7-12(2)8-10-14/h12-14H,5-11H2,1-4H3/t12?,13-,14?/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
(2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide is sourced from PubChem (CID 99807775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).