1-(oxan-4-ylsulfanyl)butan-2-amine

C9H19NOS — CID 64626555

IUPAC1-(oxan-4-ylsulfanyl)butan-2-amine
SMILESCCC(N)CSC1CCOCC1
InChIInChI=1S/C9H19NOS/c1-2-8(10)7-12-9-3-5-11-6-4-9/h8-9H,2-7,10H2,1H3
InChIKeyGGEVQZFPJWWHRA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.64
Rot. Bonds4

About 1-(oxan-4-ylsulfanyl)butan-2-amine

1-(oxan-4-ylsulfanyl)butan-2-amine (PubChem CID 64626555) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-(oxan-4-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-ylsulfanyl)butan-2-amine
PubChem CID64626555
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name1-(oxan-4-ylsulfanyl)butan-2-amine
SMILESCCC(N)CSC1CCOCC1
InChIInChI=1S/C9H19NOS/c1-2-8(10)7-12-9-3-5-11-6-4-9/h8-9H,2-7,10H2,1H3
InChIKeyGGEVQZFPJWWHRA-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylsulfanyl)butan-2-amine?
The IUPAC name of 1-(oxan-4-ylsulfanyl)butan-2-amine (CID 64626555) is 1-(oxan-4-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(oxan-4-ylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(oxan-4-ylsulfanyl)butan-2-amine is CCC(N)CSC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylsulfanyl)butan-2-amine?
The InChIKey is GGEVQZFPJWWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-8(10)7-12-9-3-5-11-6-4-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-(oxan-4-ylsulfanyl)butan-2-amine?
1-(oxan-4-ylsulfanyl)butan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64626555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).