1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione

C11H19N3O2S — CID 21400311

IUPAC1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NC(C)(S)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H19N3O2S/c1-11(17)12-9(15)13(2)10(16)14(11)8-6-4-3-5-7-8/h8,17H,3-7H2,1-2H3,(H,12,15)
InChIKeyMSHWZPMRQTVRBX-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.00
Rot. Bonds1

About 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione

1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione (PubChem CID 21400311) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione
PubChem CID21400311
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)NC(C)(S)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H19N3O2S/c1-11(17)12-9(15)13(2)10(16)14(11)8-6-4-3-5-7-8/h8,17H,3-7H2,1-2H3,(H,12,15)
InChIKeyMSHWZPMRQTVRBX-UHFFFAOYSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione with MolForge

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Related Compounds

3-cyclohexyl-6-methyl-1-propan-2-yl-6-sulfanyl-1,3,5-triazinane-2,4-dione
CID 21400310
1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
CID 3095705
1-cyclohexyl-3-cyclopropyl-6,6-dimethylpiperazine-2,5-dione
CID 82936714
1-cyclohexyl-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 82936542
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
CID 82936711
1-cyclopentyl-6-ethyl-3,3,6-trimethylpiperazine-2,5-dione
CID 82936461
4-cyclohexyl-6,6-dimethylpiperazin-2-one
CID 117023924
1-cyclohexyl-4-ethoxy-5,5-dimethylimidazolidine-2-thione
CID 4578430
3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazinane-2,4-dione
CID 14647202
3-cyclohexyloxatriazolidin-5-one
CID 3844947
7-cyclohexyl-7,9-diazaspiro[5.6]dodecan-8-one
CID 163215558
1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 82936291

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione (CID 21400311) is 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione is CN1C(=O)NC(C)(S)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione?
The InChIKey is MSHWZPMRQTVRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(17)12-9(15)13(2)10(16)14(11)8-6-4-3-5-7-8/h8,17H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione?
1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione has a molecular weight of 257.36 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,6-dimethyl-6-sulfanyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 21400311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).