2-amino-1-(oxan-4-yl)ethanethiol

C7H15NOS — CID 116868702

IUPAC2-amino-1-(oxan-4-yl)ethanethiol
SMILESNCC(S)C1CCOCC1
InChIInChI=1S/C7H15NOS/c8-5-7(10)6-1-3-9-4-2-6/h6-7,10H,1-5,8H2
InChIKeyDZGKZICQOGIBDT-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.67
Rot. Bonds2

About 2-amino-1-(oxan-4-yl)ethanethiol

2-amino-1-(oxan-4-yl)ethanethiol (PubChem CID 116868702) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-amino-1-(oxan-4-yl)ethanethiol.

Molecular Properties

Compound Name2-amino-1-(oxan-4-yl)ethanethiol
PubChem CID116868702
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-amino-1-(oxan-4-yl)ethanethiol
SMILESNCC(S)C1CCOCC1
InChIInChI=1S/C7H15NOS/c8-5-7(10)6-1-3-9-4-2-6/h6-7,10H,1-5,8H2
InChIKeyDZGKZICQOGIBDT-UHFFFAOYSA-N
XLogP0.67
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.67
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

2-amino-1-cyclopropylethanethiol
CID 146531669
2-amino-1-cyclopentylethanethiol
CID 116868701
2-fluoro-2-(oxan-4-yl)ethanamine
CID 112562633
4-amino-3-(oxan-4-yl)butan-1-ol
CID 66091202
3-amino-2-(oxolan-3-yl)propane-1-thiol
CID 117238038
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
N,N,2-trimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116904749
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
N-cyclopentyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 65384575
2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol
CID 65381935
2,2-dimethyl-1-(oxan-4-yl)propane-1,3-diamine
CID 116933491

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(oxan-4-yl)ethanethiol?
The IUPAC name of 2-amino-1-(oxan-4-yl)ethanethiol (CID 116868702) is 2-amino-1-(oxan-4-yl)ethanethiol.
What is the SMILES notation for 2-amino-1-(oxan-4-yl)ethanethiol?
The canonical SMILES for 2-amino-1-(oxan-4-yl)ethanethiol is NCC(S)C1CCOCC1.
What is the InChIKey of 2-amino-1-(oxan-4-yl)ethanethiol?
The InChIKey is DZGKZICQOGIBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-5-7(10)6-1-3-9-4-2-6/h6-7,10H,1-5,8H2.
What are the key properties of 2-amino-1-(oxan-4-yl)ethanethiol?
2-amino-1-(oxan-4-yl)ethanethiol has a molecular weight of 161.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(oxan-4-yl)ethanethiol is sourced from PubChem (CID 116868702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).