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

C7H13NOS — CID 115012507

IUPAC2-amino-1-(thiolan-2-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCS1
InChIInChI=1S/C7H13NOS/c1-5(8)7(9)6-3-2-4-10-6/h5-6H,2-4,8H2,1H3
InChIKeyUPSWIKJGIBJIQE-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.80
Rot. Bonds2

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

2-amino-1-(thiolan-2-yl)propan-1-one (PubChem CID 115012507) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-amino-1-(thiolan-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(thiolan-2-yl)propan-1-one
PubChem CID115012507
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-amino-1-(thiolan-2-yl)propan-1-one
SMILESCC(N)C(=O)C1CCCS1
InChIInChI=1S/C7H13NOS/c1-5(8)7(9)6-3-2-4-10-6/h5-6H,2-4,8H2,1H3
InChIKeyUPSWIKJGIBJIQE-UHFFFAOYSA-N
XLogP0.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-ethylsulfanylpentan-2-one
CID 132993897
4-Amino-6-methylsulfanylhexan-3-one
CID 20748181
5-Amino-1-methylsulfanylhexan-3-one
CID 58350535
(4R,5S)-4-amino-5-methylthiolan-3-one
CID 59107763
(4S)-4-amino-6-methylsulfanylhexan-3-one
CID 59978299
6-(3,4-Diaminothiolan-2-yl)hexan-2-one
CID 71200818
2-Amino-1-(thiolan-2-yl)ethan-1-one
CID 83479267
(2R)-2-amino-1-sulfanylheptan-3-one
CID 89049240
(4S)-4-amino-6-propylsulfanylhexan-3-one
CID 132076320
(4R)-4-amino-6-methylsulfanylhexan-3-one
CID 139478796
3-Amino-7-butylsulfanyloctan-2-one;ethane
CID 141916495
5-Amino-8-(2-oxopropylsulfanyl)octan-4-one
CID 145510684

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(thiolan-2-yl)propan-1-one?
The IUPAC name of 2-amino-1-(thiolan-2-yl)propan-1-one (CID 115012507) is 2-amino-1-(thiolan-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(thiolan-2-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(thiolan-2-yl)propan-1-one is CC(N)C(=O)C1CCCS1.
What is the InChIKey of 2-amino-1-(thiolan-2-yl)propan-1-one?
The InChIKey is UPSWIKJGIBJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5(8)7(9)6-3-2-4-10-6/h5-6H,2-4,8H2,1H3.
What are the key properties of 2-amino-1-(thiolan-2-yl)propan-1-one?
2-amino-1-(thiolan-2-yl)propan-1-one has a molecular weight of 159.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thiolan-2-yl)propan-1-one is sourced from PubChem (CID 115012507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).