1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole

C12H20N8S2 — CID 13061939

IUPAC1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
SMILESCn1nnnc1SCCCSc1nnnn1C1CCCCC1
InChIInChI=1S/C12H20N8S2/c1-19-11(13-15-17-19)21-8-5-9-22-12-14-16-18-20(12)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeySFYQGGFXWPLUDO-UHFFFAOYSA-N
MW340.48 g/mol
LogP1.98
Rot. Bonds7

About 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole

1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole (PubChem CID 13061939) has the molecular formula C12H20N8S2 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
PubChem CID13061939
Molecular FormulaC12H20N8S2
Molecular Weight340.48 g/mol
Exact Mass340.13
IUPAC Name1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
SMILESCn1nnnc1SCCCSc1nnnn1C1CCCCC1
InChIInChI=1S/C12H20N8S2/c1-19-11(13-15-17-19)21-8-5-9-22-12-14-16-18-20(12)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeySFYQGGFXWPLUDO-UHFFFAOYSA-N
XLogP1.98
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine
CID 86801024
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
N-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
CID 62578082
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
2-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropyl]isoindole-1,3-dione
CID 35192052
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
5-[2-(4-bromopyrazol-1-yl)ethylsulfanyl]-1-cyclopentyltetrazole
CID 56786445
1-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64649517

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole (CID 13061939) is 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole is Cn1nnnc1SCCCSc1nnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The InChIKey is SFYQGGFXWPLUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8S2/c1-19-11(13-15-17-19)21-8-5-9-22-12-14-16-18-20(12)10-6-3-2-4-7-10/h10H,2-9H2,1H3.
What are the key properties of 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole has a molecular weight of 340.48 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole is sourced from PubChem (CID 13061939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).