2-(thiolan-3-yl)butan-1-amine

C8H17NS — CID 82596112

IUPAC2-(thiolan-3-yl)butan-1-amine
SMILESCCC(CN)C1CCSC1
InChIInChI=1S/C8H17NS/c1-2-7(5-9)8-3-4-10-6-8/h7-8H,2-6,9H2,1H3
InChIKeyOXLLSUNJFQNZDP-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.72
Rot. Bonds3

About 2-(thiolan-3-yl)butan-1-amine

2-(thiolan-3-yl)butan-1-amine (PubChem CID 82596112) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(thiolan-3-yl)butan-1-amine
PubChem CID82596112
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(thiolan-3-yl)butan-1-amine
SMILESCCC(CN)C1CCSC1
InChIInChI=1S/C8H17NS/c1-2-7(5-9)8-3-4-10-6-8/h7-8H,2-6,9H2,1H3
InChIKeyOXLLSUNJFQNZDP-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
4-fluoro-3-(thiolan-3-yl)butan-1-amine
CID 115015001
2-(2-methylphenyl)-2-(thiolan-3-yl)ethanamine
CID 83822698
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine
CID 159216183
3-(1-chloro-4-methylpentan-2-yl)thiolane
CID 165443604
N-methyl-N-(3-methylbutan-2-yl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132615
2-methyl-1-(thiolan-3-yl)pentan-1-amine
CID 107893917
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325
3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
CID 117237604
3-methoxy-2-(thiolan-3-yl)propan-1-ol
CID 117238022

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yl)butan-1-amine?
The IUPAC name of 2-(thiolan-3-yl)butan-1-amine (CID 82596112) is 2-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for 2-(thiolan-3-yl)butan-1-amine is CCC(CN)C1CCSC1.
What is the InChIKey of 2-(thiolan-3-yl)butan-1-amine?
The InChIKey is OXLLSUNJFQNZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-7(5-9)8-3-4-10-6-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-(thiolan-3-yl)butan-1-amine?
2-(thiolan-3-yl)butan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 82596112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).