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

C17H28N8S2 — CID 13061970

IUPAC1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
SMILESC1CCC(n2nnnc2SCCCSc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C17H28N8S2/c1-3-8-14(9-4-1)24-16(18-20-22-24)26-12-7-13-27-17-19-21-23-25(17)15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyUZZWXMRTGDMWSC-UHFFFAOYSA-N
MW408.60 g/mol
LogP3.94
Rot. Bonds8

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

1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole (PubChem CID 13061970) has the molecular formula C17H28N8S2 and a molecular weight of 408.60 g/mol. Its IUPAC name is 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
PubChem CID13061970
Molecular FormulaC17H28N8S2
Molecular Weight408.60 g/mol
Exact Mass408.19
IUPAC Name1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
SMILESC1CCC(n2nnnc2SCCCSc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C17H28N8S2/c1-3-8-14(9-4-1)24-16(18-20-22-24)26-12-7-13-27-17-19-21-23-25(17)15-10-5-2-6-11-15/h14-15H,1-13H2
InChIKeyUZZWXMRTGDMWSC-UHFFFAOYSA-N
XLogP3.94
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
5-(5-chloropentylsulfanyl)-1-cyclopentyltetrazole
CID 43445911
N-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]cyclohexanamine
CID 62578082
1-[3-(1-cyclopropyltetrazol-5-yl)sulfanylpropyl]piperidine
CID 86801024
3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 37044918
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylbutan-1-amine
CID 62576620
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]propan-2-amine
CID 61386323
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
5-(2-bromoethylsulfanyl)-1-cyclopropyltetrazole
CID 43445926
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
N-carbamoyl-3-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 47134608

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole (CID 13061970) is 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole is C1CCC(n2nnnc2SCCCSc2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The InChIKey is UZZWXMRTGDMWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8S2/c1-3-8-14(9-4-1)24-16(18-20-22-24)26-12-7-13-27-17-19-21-23-25(17)15-10-5-2-6-11-15/h14-15H,1-13H2.
What are the key properties of 1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole has a molecular weight of 408.60 g/mol, XLogP of 3.94, 8 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-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole is sourced from PubChem (CID 13061970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).