1,2,6-trimethyl-1,3-diazinane-2-thiol

C7H16N2S — CID 150140164

IUPAC1,2,6-trimethyl-1,3-diazinane-2-thiol
SMILESCC1CCNC(C)(S)N1C
InChIInChI=1S/C7H16N2S/c1-6-4-5-8-7(2,10)9(6)3/h6,8,10H,4-5H2,1-3H3
InChIKeyFDCRCXFURVJKBR-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.90
Rot. Bonds

About 1,2,6-trimethyl-1,3-diazinane-2-thiol

1,2,6-trimethyl-1,3-diazinane-2-thiol (PubChem CID 150140164) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1,2,6-trimethyl-1,3-diazinane-2-thiol.

Molecular Properties

Compound Name1,2,6-trimethyl-1,3-diazinane-2-thiol
PubChem CID150140164
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1,2,6-trimethyl-1,3-diazinane-2-thiol
SMILESCC1CCNC(C)(S)N1C
InChIInChI=1S/C7H16N2S/c1-6-4-5-8-7(2,10)9(6)3/h6,8,10H,4-5H2,1-3H3
InChIKeyFDCRCXFURVJKBR-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.90
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

1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
CID 64869408
1,2,2,6-tetramethylpiperidine
CID 23423758
1,2,2,6-tetramethylpiperidin-3-amine
CID 139994448
2,2-dimethylpyrrolidin-3-ol
CID 71669042
3,3,7-trimethyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458876
3-ethyl-3,7-dimethyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458890
1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane
CID 64871190
3-cyclopropyl-3,7-dimethyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64871206
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269
3-ethyl-3,7-dimethyl-1-(2-methylpropyl)-1,4-diazepane
CID 64870853
3-cyclopropyl-1-(2-ethoxyethyl)-3,7-dimethyl-1,4-diazepane
CID 64871599
3,3,7-trimethyl-1-(3-phenylpropyl)-1,4-diazepane
CID 64870396

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethyl-1,3-diazinane-2-thiol?
The IUPAC name of 1,2,6-trimethyl-1,3-diazinane-2-thiol (CID 150140164) is 1,2,6-trimethyl-1,3-diazinane-2-thiol.
What is the SMILES notation for 1,2,6-trimethyl-1,3-diazinane-2-thiol?
The canonical SMILES for 1,2,6-trimethyl-1,3-diazinane-2-thiol is CC1CCNC(C)(S)N1C.
What is the InChIKey of 1,2,6-trimethyl-1,3-diazinane-2-thiol?
The InChIKey is FDCRCXFURVJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-6-4-5-8-7(2,10)9(6)3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 1,2,6-trimethyl-1,3-diazinane-2-thiol?
1,2,6-trimethyl-1,3-diazinane-2-thiol has a molecular weight of 160.29 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-1,3-diazinane-2-thiol is sourced from PubChem (CID 150140164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).