N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

C15H29NO2S — CID 106496336

IUPACN-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1S(=O)CC1CCCO1
InChIInChI=1S/C15H29NO2S/c1-11(2)12-6-7-14(16-3)15(9-12)19(17)10-13-5-4-8-18-13/h11-16H,4-10H2,1-3H3
InChIKeyFMUUPIXCKAVIKA-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine

N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106496336) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID106496336
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1S(=O)CC1CCCO1
InChIInChI=1S/C15H29NO2S/c1-11(2)12-6-7-14(16-3)15(9-12)19(17)10-13-5-4-8-18-13/h11-16H,4-10H2,1-3H3
InChIKeyFMUUPIXCKAVIKA-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine 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-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496366
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-4-propan-2-ylcyclohexan-1-amine
CID 107758424
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
N-ethyl-7-(oxolan-2-ylmethylsulfinyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106496216
2-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62740576
methyl 3-(oxolan-2-ylmethylsulfinyl)butanoate
CID 66115323
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (CID 106496336) is N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1S(=O)CC1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is FMUUPIXCKAVIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-11(2)12-6-7-14(16-3)15(9-12)19(17)10-13-5-4-8-18-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106496336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).