oxathiolan-4-amine

C3H7NOS — CID 123303967

IUPACoxathiolan-4-amine
SMILESNC1COSC1
InChIInChI=1S/C3H7NOS/c4-3-1-5-6-2-3/h3H,1-2,4H2
InChIKeyYNLVPOSEDWATJI-UHFFFAOYSA-N
MW105.16 g/mol
LogP-0.01
Rot. Bonds

About oxathiolan-4-amine

oxathiolan-4-amine (PubChem CID 123303967) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is oxathiolan-4-amine.

Molecular Properties

Compound Nameoxathiolan-4-amine
PubChem CID123303967
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Nameoxathiolan-4-amine
SMILESNC1COSC1
InChIInChI=1S/C3H7NOS/c4-3-1-5-6-2-3/h3H,1-2,4H2
InChIKeyYNLVPOSEDWATJI-UHFFFAOYSA-N
XLogP-0.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxathiolan-4-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

(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine
CID 11788638
4-phenyloxathiolane
CID 101444581
thiane-3,5-diamine
CID 156770129
(1,2,3-13C3)cyclopropanamine
CID 76972988
2-(thiiran-2-yl)oxirane
CID 154083597
2-methyl-1,3-dioxan-5-amine
CID 20522526
(3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophen-5-amine
CID 170433615
trimethyl-(8-trimethylsilyl-1,2,5,6-tetrathiocan-3-yl)silane
CID 552958
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
2-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-4-amine
CID 154476340
trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione
CID 141179999
5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione
CID 14767706

Frequently Asked Questions

What is the IUPAC name of oxathiolan-4-amine?
The IUPAC name of oxathiolan-4-amine (CID 123303967) is oxathiolan-4-amine.
What is the SMILES notation for oxathiolan-4-amine?
The canonical SMILES for oxathiolan-4-amine is NC1COSC1.
What is the InChIKey of oxathiolan-4-amine?
The InChIKey is YNLVPOSEDWATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c4-3-1-5-6-2-3/h3H,1-2,4H2.
What are the key properties of oxathiolan-4-amine?
oxathiolan-4-amine has a molecular weight of 105.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxathiolan-4-amine is sourced from PubChem (CID 123303967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).