2-amino-1-(thian-4-yl)pentan-3-one

C10H19NOS — CID 142227872

IUPAC2-amino-1-(thian-4-yl)pentan-3-one
SMILESCCC(=O)C(N)CC1CCSCC1
InChIInChI=1S/C10H19NOS/c1-2-10(12)9(11)7-8-3-5-13-6-4-8/h8-9H,2-7,11H2,1H3
InChIKeyCJCAININFCIIRZ-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-1-(thian-4-yl)pentan-3-one

2-amino-1-(thian-4-yl)pentan-3-one (PubChem CID 142227872) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-amino-1-(thian-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-amino-1-(thian-4-yl)pentan-3-one
PubChem CID142227872
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-amino-1-(thian-4-yl)pentan-3-one
SMILESCCC(=O)C(N)CC1CCSCC1
InChIInChI=1S/C10H19NOS/c1-2-10(12)9(11)7-8-3-5-13-6-4-8/h8-9H,2-7,11H2,1H3
InChIKeyCJCAININFCIIRZ-UHFFFAOYSA-N
XLogP1.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(thian-4-yl)pentan-3-one?
The IUPAC name of 2-amino-1-(thian-4-yl)pentan-3-one (CID 142227872) is 2-amino-1-(thian-4-yl)pentan-3-one.
What is the SMILES notation for 2-amino-1-(thian-4-yl)pentan-3-one?
The canonical SMILES for 2-amino-1-(thian-4-yl)pentan-3-one is CCC(=O)C(N)CC1CCSCC1.
What is the InChIKey of 2-amino-1-(thian-4-yl)pentan-3-one?
The InChIKey is CJCAININFCIIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-2-10(12)9(11)7-8-3-5-13-6-4-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-amino-1-(thian-4-yl)pentan-3-one?
2-amino-1-(thian-4-yl)pentan-3-one has a molecular weight of 201.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thian-4-yl)pentan-3-one is sourced from PubChem (CID 142227872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).