1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine

C9H19NOS — CID 62692151

IUPAC1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESCSCC(N)CC1CCOCC1
InChIInChI=1S/C9H19NOS/c1-12-7-9(10)6-8-2-4-11-5-3-8/h8-9H,2-7,10H2,1H3
InChIKeyCGYWMALBZUHJEC-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.49
Rot. Bonds4

About 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine

1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 62692151) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine
PubChem CID62692151
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESCSCC(N)CC1CCOCC1
InChIInChI=1S/C9H19NOS/c1-12-7-9(10)6-8-2-4-11-5-3-8/h8-9H,2-7,10H2,1H3
InChIKeyCGYWMALBZUHJEC-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine (CID 62692151) is 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine is CSCC(N)CC1CCOCC1.
What is the InChIKey of 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is CGYWMALBZUHJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-12-7-9(10)6-8-2-4-11-5-3-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine?
1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 62692151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).