4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine

C14H29NO2S — CID 60721098

IUPAC4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H29NO2S/c1-5-14(2,3)12-6-8-13(9-7-12)15-10-11-18(4,16)17/h12-13,15H,5-11H2,1-4H3
InChIKeyCMBQSUMNAHMHNL-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 60721098) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID60721098
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C14H29NO2S/c1-5-14(2,3)12-6-8-13(9-7-12)15-10-11-18(4,16)17/h12-13,15H,5-11H2,1-4H3
InChIKeyCMBQSUMNAHMHNL-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(3S,4R)-4-methyl-1,1-dioxo-N-spiro[3.5]nonan-2-ylthiolan-3-amine
CID 128860817
N-(2-methylsulfonylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754265
N-ethyl-4-methylsulfonyl-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105113045
2-[(2-cyclohexyl-1-methylethyl)amino]-N,N-dimethylethanesulfonamide
CID 56701976
N-[(1,1-dioxidotetrahydro-3-thienyl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56709211
1-Propanesulfonic acid, 3-[(4-methylcyclohexyl)amino]-
CID 11424861
1-Propanesulfonic acid, 3-[(3,3,5-trimethylcyclohexyl)amino]-
CID 11459723
3-{[(1R)-1-Cyclohexylethyl]amino}propane-1-sulfonic acid
CID 16035947
3-[(4-tert-Butylcyclohexyl)amino]propane-1-sulfonic acid
CID 16035949
N-(4-tert-butylcyclohexyl)ethanesulfonamide
CID 22772449

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 60721098) is 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is CMBQSUMNAHMHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-14(2,3)12-6-8-13(9-7-12)15-10-11-18(4,16)17/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 60721098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).