3-amino-2-(oxolan-3-yl)propane-1-thiol

C7H15NOS — CID 117238038

IUPAC3-amino-2-(oxolan-3-yl)propane-1-thiol
SMILESNCC(CS)C1CCOC1
InChIInChI=1S/C7H15NOS/c8-3-7(5-10)6-1-2-9-4-6/h6-7,10H,1-5,8H2
InChIKeyKPPPJSSKEHXNQU-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-2-(oxolan-3-yl)propane-1-thiol

3-amino-2-(oxolan-3-yl)propane-1-thiol (PubChem CID 117238038) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-amino-2-(oxolan-3-yl)propane-1-thiol.

Molecular Properties

Compound Name3-amino-2-(oxolan-3-yl)propane-1-thiol
PubChem CID117238038
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-amino-2-(oxolan-3-yl)propane-1-thiol
SMILESNCC(CS)C1CCOC1
InChIInChI=1S/C7H15NOS/c8-3-7(5-10)6-1-2-9-4-6/h6-7,10H,1-5,8H2
InChIKeyKPPPJSSKEHXNQU-UHFFFAOYSA-N
XLogP0.53
TPSA35.25 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
4-amino-3-(oxan-3-yl)butan-1-ol
CID 66091898
3-heptan-4-yloxolane
CID 162375259
2-amino-1-(oxan-4-yl)ethanethiol
CID 116868702
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
4-amino-3-(oxan-4-yl)butan-1-ol
CID 66091202
2-(2,2-dimethylhydrazinyl)-2-(oxolan-3-yl)ethanamine
CID 83010989
N-methyl-N-(2-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 63982239
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
CID 155821044
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(oxolan-3-yl)propane-1-thiol?
The IUPAC name of 3-amino-2-(oxolan-3-yl)propane-1-thiol (CID 117238038) is 3-amino-2-(oxolan-3-yl)propane-1-thiol.
What is the SMILES notation for 3-amino-2-(oxolan-3-yl)propane-1-thiol?
The canonical SMILES for 3-amino-2-(oxolan-3-yl)propane-1-thiol is NCC(CS)C1CCOC1.
What is the InChIKey of 3-amino-2-(oxolan-3-yl)propane-1-thiol?
The InChIKey is KPPPJSSKEHXNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-3-7(5-10)6-1-2-9-4-6/h6-7,10H,1-5,8H2.
What are the key properties of 3-amino-2-(oxolan-3-yl)propane-1-thiol?
3-amino-2-(oxolan-3-yl)propane-1-thiol has a molecular weight of 161.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(oxolan-3-yl)propane-1-thiol is sourced from PubChem (CID 117238038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).