1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine

C10H21NOS — CID 115721709

IUPAC1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
SMILESCSCC(C)NC(C)C1CCOC1
InChIInChI=1S/C10H21NOS/c1-8(7-13-3)11-9(2)10-4-5-12-6-10/h8-11H,4-7H2,1-3H3
InChIKeyRLQLVVWLEFUTGQ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds5

About 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine

1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine (PubChem CID 115721709) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
PubChem CID115721709
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
SMILESCSCC(C)NC(C)C1CCOC1
InChIInChI=1S/C10H21NOS/c1-8(7-13-3)11-9(2)10-4-5-12-6-10/h8-11H,4-7H2,1-3H3
InChIKeyRLQLVVWLEFUTGQ-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-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

1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
CID 115894360
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 124856109
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine (CID 115721709) is 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine is CSCC(C)NC(C)C1CCOC1.
What is the InChIKey of 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine?
The InChIKey is RLQLVVWLEFUTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(7-13-3)11-9(2)10-4-5-12-6-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine?
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115721709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).