N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine

C8H17NOS — CID 63564188

IUPACN-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSC)C1CCOC1
InChIInChI=1S/C8H17NOS/c1-9-8(6-11-2)7-3-4-10-5-7/h7-9H,3-6H2,1-2H3
InChIKeyATWQJWOIPXNMJM-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine

N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 63564188) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID63564188
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CSC)C1CCOC1
InChIInChI=1S/C8H17NOS/c1-9-8(6-11-2)7-3-4-10-5-7/h7-9H,3-6H2,1-2H3
InChIKeyATWQJWOIPXNMJM-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine 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-(oxolan-3-yl)-2-propylsulfanylethanamine
CID 65129261
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 113449572
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
N-methyl-1-(oxolan-3-yl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 104749257
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine (CID 63564188) is N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine is CNC(CSC)C1CCOC1.
What is the InChIKey of N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is ATWQJWOIPXNMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-9-8(6-11-2)7-3-4-10-5-7/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine?
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 175.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 63564188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).