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

C16H31NO2S — CID 106496313

IUPACN-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)CC1CCCO1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-8-7-13(12(2)3)10-16(15)20(18)11-14-6-5-9-19-14/h12-17H,4-11H2,1-3H3
InChIKeyGTYHBIZVEFYZTE-UHFFFAOYSA-N
MW301.50 g/mol
LogP2.72
Rot. Bonds6

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

N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106496313) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID106496313
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC NameN-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1S(=O)CC1CCCO1
InChIInChI=1S/C16H31NO2S/c1-4-17-15-8-7-13(12(2)3)10-16(15)20(18)11-14-6-5-9-19-14/h12-17H,4-11H2,1-3H3
InChIKeyGTYHBIZVEFYZTE-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-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-methyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496336
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
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
N,2-dimethyl-3-(oxolan-2-ylmethylsulfinyl)cyclopentan-1-amine
CID 106496237
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
3,5-dimethyl-2-(oxolan-2-ylmethylsulfinyl)-N-propylcyclohexan-1-amine
CID 106496146
N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651423
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496366
N-ethyl-4-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62549830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine (CID 106496313) is N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1S(=O)CC1CCCO1.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GTYHBIZVEFYZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-17-15-8-7-13(12(2)3)10-16(15)20(18)11-14-6-5-9-19-14/h12-17H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106496313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).