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

C5H11N3S — CID 72728890

IUPAC6-amino-2-methyl-1,3-diazinane-4-thione
SMILESCC1NC(=S)CC(N)N1
InChIInChI=1S/C5H11N3S/c1-3-7-4(6)2-5(9)8-3/h3-4,7H,2,6H2,1H3,(H,8,9)
InChIKeyOKWYQRORSONMHT-UHFFFAOYSA-N
MW145.23 g/mol
LogP-0.47
Rot. Bonds

About 6-amino-2-methyl-1,3-diazinane-4-thione

6-amino-2-methyl-1,3-diazinane-4-thione (PubChem CID 72728890) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 6-amino-2-methyl-1,3-diazinane-4-thione.

Molecular Properties

Compound Name6-amino-2-methyl-1,3-diazinane-4-thione
PubChem CID72728890
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name6-amino-2-methyl-1,3-diazinane-4-thione
SMILESCC1NC(=S)CC(N)N1
InChIInChI=1S/C5H11N3S/c1-3-7-4(6)2-5(9)8-3/h3-4,7H,2,6H2,1H3,(H,8,9)
InChIKeyOKWYQRORSONMHT-UHFFFAOYSA-N
XLogP-0.47
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 5-0.47
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-methylpyrrolidine-2,4-dithione
CID 137473196
2-methyl-6-sulfanyl-1,3-diazinan-4-one
CID 75088843
2-azabicyclo[3.3.1]nonane-3-thione
CID 3945419
3-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-2-thione
CID 130141413
3-aminocyclohexane-1-thione
CID 156588220
6-methylpiperazine-2-thione
CID 72658874
2,6-dimethylpiperidin-4-one
CID 11040712
5-oxido-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-ium-2-thione
CID 88817877
2-amino-1,3-diazinane-4-thione
CID 78350195
6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one
CID 78175987
5-aminopyrrolidin-2-one
CID 12638466
(2S,4R,6S)-2-cyclopropyl-6-methylpiperidin-4-amine
CID 82651791

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1,3-diazinane-4-thione?
The IUPAC name of 6-amino-2-methyl-1,3-diazinane-4-thione (CID 72728890) is 6-amino-2-methyl-1,3-diazinane-4-thione.
What is the SMILES notation for 6-amino-2-methyl-1,3-diazinane-4-thione?
The canonical SMILES for 6-amino-2-methyl-1,3-diazinane-4-thione is CC1NC(=S)CC(N)N1.
What is the InChIKey of 6-amino-2-methyl-1,3-diazinane-4-thione?
The InChIKey is OKWYQRORSONMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-3-7-4(6)2-5(9)8-3/h3-4,7H,2,6H2,1H3,(H,8,9).
What are the key properties of 6-amino-2-methyl-1,3-diazinane-4-thione?
6-amino-2-methyl-1,3-diazinane-4-thione has a molecular weight of 145.23 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1,3-diazinane-4-thione is sourced from PubChem (CID 72728890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).