1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine

C15H31NO2S — CID 106735635

IUPAC1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C15H31NO2S/c1-12(2)19(17,18)9-7-13-10-15(3,4)8-6-14(13)11-16-5/h12-14,16H,6-11H2,1-5H3
InChIKeyCVLOJWXSFMIUBQ-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.86
Rot. Bonds6

About 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine

1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 106735635) has the molecular formula C15H31NO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
PubChem CID106735635
Molecular FormulaC15H31NO2S
Molecular Weight289.48 g/mol
Exact Mass289.21
IUPAC Name1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1CCS(=O)(=O)C(C)C
InChIInChI=1S/C15H31NO2S/c1-12(2)19(17,18)9-7-13-10-15(3,4)8-6-14(13)11-16-5/h12-14,16H,6-11H2,1-5H3
InChIKeyCVLOJWXSFMIUBQ-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methanamine
CID 106735482
1-[4,4-dimethyl-2-(3-methylsulfonylpropyl)cyclohexyl]-N-methylmethanamine
CID 81030474
N-methyl-1-[4-propan-2-yl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106735621
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735592
N-[[2-(2-tert-butylsulfonylethyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 106735642
1-(4,4-dimethyl-2-prop-2-enylcyclohexyl)-N-methylmethanamine
CID 81030775
1-[2-(cyclohexylmethyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031296
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498
N-[[4,4-dimethyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81030587
N-[(4,4-dimethyl-2-pent-3-ynylcyclohexyl)methyl]propan-2-amine
CID 104813992
2-(2-propan-2-ylsulfonylethyl)cycloheptan-1-ol
CID 106729005
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine (CID 106735635) is 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is CVLOJWXSFMIUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-12(2)19(17,18)9-7-13-10-15(3,4)8-6-14(13)11-16-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine?
1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 289.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 106735635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).