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

C14H29NO2S — CID 99807776

IUPAC(2S)-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?/m0/s1
InChIKeyJUQMWGATTGYCIG-MOKVOYLWSA-N
MW275.46 g/mol
LogP3.26
Rot. Bonds6

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

(2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide (PubChem CID 99807776) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide
PubChem CID99807776
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(2S)-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?/m0/s1
InChIKeyJUQMWGATTGYCIG-MOKVOYLWSA-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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Related Compounds

Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
N-(2-cyclohexylethyl)-N-methylmethanesulfonamide
CID 69035084
1-Ethylsulfonyl-4-(4-methylcyclohexyl)piperazine
CID 645719
1-(4-Methylcyclohexyl)-4-(propylsulfonyl)piperazine
CID 777548
1-cyclohexyl-N-[4-(dimethylamino)butyl]-N-methylmethanesulfonamide
CID 72104896
N-(3-fluoro-4-methylcyclohexyl)-N-methylmethanesulfonamide
CID 178984883
(2S)-1-tert-butylsulfonyl-2-cyclohexylaziridine
CID 101396855
(2R)-1-tert-butylsulfonyl-2-cyclohexylaziridine
CID 135085944
[4-(Methylamino)cyclohexyl]methanesulfonyl fluoride
CID 165735435
3-[Cyclopropyl-(4-ethylcyclohexyl)amino]propane-1-sulfonamide
CID 53610393
N-(4-methylcyclohexyl)ethanesulfonamide
CID 22772360
N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 57678202

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
The IUPAC name of (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide (CID 99807776) is (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide.
What is the SMILES notation for (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
The canonical SMILES for (2S)-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 (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
The InChIKey is JUQMWGATTGYCIG-MOKVOYLWSA-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?/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide?
(2S)-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 (2S)-N,2-dimethyl-N-(4-methylcyclohexyl)pentane-1-sulfonamide is sourced from PubChem (CID 99807776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).