N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide

C12H25NO2S — CID 165445594

IUPACN-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide
SMILESCCC(C)(C)C1CCC(S(=O)(=O)NC)CC1
InChIInChI=1S/C12H25NO2S/c1-5-12(2,3)10-6-8-11(9-7-10)16(14,15)13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyAMLDSKSNDYBTEN-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide

N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide (PubChem CID 165445594) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide
PubChem CID165445594
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide
SMILESCCC(C)(C)C1CCC(S(=O)(=O)NC)CC1
InChIInChI=1S/C12H25NO2S/c1-5-12(2,3)10-6-8-11(9-7-10)16(14,15)13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyAMLDSKSNDYBTEN-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-methylcyclohexane-1-sulfonamide
CID 165446432
Sodium cyclopropanesulfonic acid methylamide
CID 68815009
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
1-[diazo-[4-(2-methylbutan-2-yl)cyclohexyl]sulfonylmethyl]sulfonyl-4-(2-methylbutan-2-yl)cyclohexane
CID 22737671
N-methylcyclopentanesulfonamide
CID 4105675
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
4-(2-methylbutan-2-yl)oxane
CID 91527752
1-[4-(2-methylbutan-2-yl)cyclohexyl]butan-1-one
CID 83046839
[4-(2-methylbutan-2-yl)cyclohexyl] trifluoromethanesulfonate
CID 102621304
2-cyclopropyl-2-methylpropane-1-sulfonyl chloride
CID 115020909
4-(2-methylbutan-2-yl)cyclohexane-1-carboxylic acid
CID 13150786
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
CID 43701247

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide?
The IUPAC name of N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide (CID 165445594) is N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide.
What is the SMILES notation for N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide?
The canonical SMILES for N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide is CCC(C)(C)C1CCC(S(=O)(=O)NC)CC1.
What is the InChIKey of N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide?
The InChIKey is AMLDSKSNDYBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-12(2,3)10-6-8-11(9-7-10)16(14,15)13-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide?
N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbutan-2-yl)cyclohexane-1-sulfonamide is sourced from PubChem (CID 165445594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).