2-amino-1,3-diazinane-4-thione

C4H9N3S — CID 78350195

IUPAC2-amino-1,3-diazinane-4-thione
SMILESNC1NCCC(=S)N1
InChIInChI=1S/C4H9N3S/c5-4-6-2-1-3(8)7-4/h4,6H,1-2,5H2,(H,7,8)
InChIKeyOSIVIFMTFZBIKC-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.86
Rot. Bonds

About 2-amino-1,3-diazinane-4-thione

2-amino-1,3-diazinane-4-thione (PubChem CID 78350195) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-amino-1,3-diazinane-4-thione.

Molecular Properties

Compound Name2-amino-1,3-diazinane-4-thione
PubChem CID78350195
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name2-amino-1,3-diazinane-4-thione
SMILESNC1NCCC(=S)N1
InChIInChI=1S/C4H9N3S/c5-4-6-2-1-3(8)7-4/h4,6H,1-2,5H2,(H,7,8)
InChIKeyOSIVIFMTFZBIKC-UHFFFAOYSA-N
XLogP-0.86
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-sulfanylidenepyrrolidin-2-yl)phosphonic acid
CID 22644558
3-aminocyclohexane-1-thione
CID 156588220
5-aminopyrrolidin-2-one
CID 12638466
4-amino-1,3,5-triazinan-2-one;hydrate
CID 73449560
6-amino-2-methyl-1,3-diazinane-4-thione
CID 72728890
(5R)-5-aminopyrrolidin-2-one;hydrochloride
CID 67838431
5-aminopyrrolidin-2-one;hydrochloride
CID 67838433
5-(phosphanyloxymethyl)pyrrolidine-2-thione
CID 59641159
lithium 5-sulfanylidenepyrrolidine-2-carboxylate
CID 177305523
2-[(dimethylamino)methyl]pyrrolidine-3-thione;ethane
CID 168883162
1,4-diazepan-5-amine
CID 147823737
6-(5-amino-2-fluorophenyl)-5,5-difluoropiperidine-2-thione
CID 145079064

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-diazinane-4-thione?
The IUPAC name of 2-amino-1,3-diazinane-4-thione (CID 78350195) is 2-amino-1,3-diazinane-4-thione.
What is the SMILES notation for 2-amino-1,3-diazinane-4-thione?
The canonical SMILES for 2-amino-1,3-diazinane-4-thione is NC1NCCC(=S)N1.
What is the InChIKey of 2-amino-1,3-diazinane-4-thione?
The InChIKey is OSIVIFMTFZBIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c5-4-6-2-1-3(8)7-4/h4,6H,1-2,5H2,(H,7,8).
What are the key properties of 2-amino-1,3-diazinane-4-thione?
2-amino-1,3-diazinane-4-thione has a molecular weight of 131.20 g/mol, XLogP of -0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-diazinane-4-thione is sourced from PubChem (CID 78350195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).