1-(1-oxothian-4-yl)propan-2-amine

C8H17NOS — CID 142227478

IUPAC1-(1-oxothian-4-yl)propan-2-amine
SMILESCC(N)CC1CCS(=O)CC1
InChIInChI=1S/C8H17NOS/c1-7(9)6-8-2-4-11(10)5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyDTFAIVROVWRUAT-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.88
Rot. Bonds2

About 1-(1-oxothian-4-yl)propan-2-amine

1-(1-oxothian-4-yl)propan-2-amine (PubChem CID 142227478) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(1-oxothian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-oxothian-4-yl)propan-2-amine
PubChem CID142227478
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name1-(1-oxothian-4-yl)propan-2-amine
SMILESCC(N)CC1CCS(=O)CC1
InChIInChI=1S/C8H17NOS/c1-7(9)6-8-2-4-11(10)5-3-8/h7-8H,2-6,9H2,1H3
InChIKeyDTFAIVROVWRUAT-UHFFFAOYSA-N
XLogP0.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-oxothian-4-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
4-propan-2-yloxythiane 1-oxide
CID 121261745
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
1-[4-(1,2,2,2-tetrafluoroethyl)cyclohexyl]propan-2-amine
CID 84737021
1-(3,5-dimethylcyclohexyl)propan-2-amine
CID 70312991
1-[4-fluoro-4-(trifluoromethyl)cyclohexyl]propan-2-amine
CID 84735871
(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104864648

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxothian-4-yl)propan-2-amine?
The IUPAC name of 1-(1-oxothian-4-yl)propan-2-amine (CID 142227478) is 1-(1-oxothian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-oxothian-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-oxothian-4-yl)propan-2-amine is CC(N)CC1CCS(=O)CC1.
What is the InChIKey of 1-(1-oxothian-4-yl)propan-2-amine?
The InChIKey is DTFAIVROVWRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(9)6-8-2-4-11(10)5-3-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-(1-oxothian-4-yl)propan-2-amine?
1-(1-oxothian-4-yl)propan-2-amine has a molecular weight of 175.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxothian-4-yl)propan-2-amine is sourced from PubChem (CID 142227478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).