2-amino-1-(thian-2-yl)propan-1-one

C8H15NOS — CID 115014219

IUPAC2-amino-1-(thian-2-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCCS1
InChIInChI=1S/C8H15NOS/c1-6(9)8(10)7-4-2-3-5-11-7/h6-7H,2-5,9H2,1H3
InChIKeyNUAZFOQVJZAYCT-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.19
Rot. Bonds2

About 2-amino-1-(thian-2-yl)propan-1-one

2-amino-1-(thian-2-yl)propan-1-one (PubChem CID 115014219) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-amino-1-(thian-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(thian-2-yl)propan-1-one
PubChem CID115014219
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-amino-1-(thian-2-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCCS1
InChIInChI=1S/C8H15NOS/c1-6(9)8(10)7-4-2-3-5-11-7/h6-7H,2-5,9H2,1H3
InChIKeyNUAZFOQVJZAYCT-UHFFFAOYSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.19
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-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(thian-2-yl)propan-1-one (CID 115014219) is 2-amino-1-(thian-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(thian-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(thian-2-yl)propan-1-one is CC(N)C(=O)C1CCCCS1.
What is the InChIKey of 2-amino-1-(thian-2-yl)propan-1-one?
The InChIKey is NUAZFOQVJZAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-6(9)8(10)7-4-2-3-5-11-7/h6-7H,2-5,9H2,1H3.
What are the key properties of 2-amino-1-(thian-2-yl)propan-1-one?
2-amino-1-(thian-2-yl)propan-1-one has a molecular weight of 173.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thian-2-yl)propan-1-one is sourced from PubChem (CID 115014219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).