3-amino-1-(thiolan-3-yl)propan-1-one

C7H13NOS — CID 82652170

IUPAC3-amino-1-(thiolan-3-yl)propan-1-one
SMILESNCCC(=O)C1CCSC1
InChIInChI=1S/C7H13NOS/c8-3-1-7(9)6-2-4-10-5-6/h6H,1-5,8H2
InChIKeyUNXAEOVMGBXOOK-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.66
Rot. Bonds3

About 3-amino-1-(thiolan-3-yl)propan-1-one

3-amino-1-(thiolan-3-yl)propan-1-one (PubChem CID 82652170) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-amino-1-(thiolan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(thiolan-3-yl)propan-1-one
PubChem CID82652170
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-amino-1-(thiolan-3-yl)propan-1-one
SMILESNCCC(=O)C1CCSC1
InChIInChI=1S/C7H13NOS/c8-3-1-7(9)6-2-4-10-5-6/h6H,1-5,8H2
InChIKeyUNXAEOVMGBXOOK-UHFFFAOYSA-N
XLogP0.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiolan-3-yl)hex-5-en-1-one
CID 105104192
2-amino-4-oxo-4-(thiolan-3-yl)butanoic acid
CID 105455491
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
N-(3-aminopropyl)-N-methylthiolane-3-carboxamide
CID 115318952
3-(thian-4-yl)but-3-en-1-amine
CID 117268266
amino thiolane-3-carboxylate
CID 45084703
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
CID 64884692
2-(5-chloro-2-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 103052592
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
2-(2,5-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105102479
2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
CID 105081689
2-(2,2-difluorocyclopentyl)-1-(thiolan-3-yl)ethanone
CID 131204231

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(thiolan-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(thiolan-3-yl)propan-1-one (CID 82652170) is 3-amino-1-(thiolan-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(thiolan-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(thiolan-3-yl)propan-1-one is NCCC(=O)C1CCSC1.
What is the InChIKey of 3-amino-1-(thiolan-3-yl)propan-1-one?
The InChIKey is UNXAEOVMGBXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c8-3-1-7(9)6-2-4-10-5-6/h6H,1-5,8H2.
What are the key properties of 3-amino-1-(thiolan-3-yl)propan-1-one?
3-amino-1-(thiolan-3-yl)propan-1-one has a molecular weight of 159.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(thiolan-3-yl)propan-1-one is sourced from PubChem (CID 82652170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).