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

C7H15NOS — CID 82652261

IUPAC3-amino-1-(thiolan-3-yl)propan-1-ol
SMILESNCCC(O)C1CCSC1
InChIInChI=1S/C7H15NOS/c8-3-1-7(9)6-2-4-10-5-6/h6-7,9H,1-5,8H2
InChIKeyLCPFAMFDFYLLFQ-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.45
Rot. Bonds3

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

3-amino-1-(thiolan-3-yl)propan-1-ol (PubChem CID 82652261) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-amino-1-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(thiolan-3-yl)propan-1-ol
PubChem CID82652261
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-amino-1-(thiolan-3-yl)propan-1-ol
SMILESNCCC(O)C1CCSC1
InChIInChI=1S/C7H15NOS/c8-3-1-7(9)6-2-4-10-5-6/h6-7,9H,1-5,8H2
InChIKeyLCPFAMFDFYLLFQ-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiolan-3-yl)pent-4-yn-1-ol
CID 105098646
4-fluoro-3-(thiolan-3-yl)butan-1-amine
CID 115015001
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032
1-(thian-3-yl)butan-1-ol
CID 130518370
4-amino-2-(thian-4-yl)butan-1-ol
CID 115017956
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
2-(cyclobutylamino)-1-(thiolan-3-yl)ethanol
CID 117237110
4-amino-2-(thian-3-yl)butan-1-ol
CID 115017955
1-(thian-4-yl)ethane-1,2-diol
CID 117238988
2-(4-chlorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237439
2-(thiolan-3-yl)butan-1-amine
CID 82596112
4,4-difluoro-3-(thian-4-yl)butan-1-amine
CID 115026573

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(thiolan-3-yl)propan-1-ol (CID 82652261) is 3-amino-1-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(thiolan-3-yl)propan-1-ol is NCCC(O)C1CCSC1.
What is the InChIKey of 3-amino-1-(thiolan-3-yl)propan-1-ol?
The InChIKey is LCPFAMFDFYLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-3-1-7(9)6-2-4-10-5-6/h6-7,9H,1-5,8H2.
What are the key properties of 3-amino-1-(thiolan-3-yl)propan-1-ol?
3-amino-1-(thiolan-3-yl)propan-1-ol has a molecular weight of 161.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 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-ol is sourced from PubChem (CID 82652261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).