1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole

C9H17N5S — CID 62480319

IUPAC1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
SMILESCn1nnnc1SCCCC1CCCN1
InChIInChI=1S/C9H17N5S/c1-14-9(11-12-13-14)15-7-3-5-8-4-2-6-10-8/h8,10H,2-7H2,1H3
InChIKeyJEGSNSJCBXSBMY-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.83
Rot. Bonds5

About 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole

1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole (PubChem CID 62480319) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
PubChem CID62480319
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
SMILESCn1nnnc1SCCCC1CCCN1
InChIInChI=1S/C9H17N5S/c1-14-9(11-12-13-14)15-7-3-5-8-4-2-6-10-8/h8,10H,2-7H2,1H3
InChIKeyJEGSNSJCBXSBMY-UHFFFAOYSA-N
XLogP0.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(3-pyrrolidin-2-ylpropylsulfanyl)pyrazole
CID 62480496
1-cyclohexyl-5-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061939
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63460492
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine
CID 62479790
2-(3-pyrrolidin-2-ylpropylsulfanyl)pyridine
CID 62480493
1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
CID 62371631
2-[3-(4-bromophenyl)sulfanylpropyl]pyrrolidine
CID 62478365

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole?
The IUPAC name of 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole (CID 62480319) is 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole?
The canonical SMILES for 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole is Cn1nnnc1SCCCC1CCCN1.
What is the InChIKey of 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole?
The InChIKey is JEGSNSJCBXSBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-14-9(11-12-13-14)15-7-3-5-8-4-2-6-10-8/h8,10H,2-7H2,1H3.
What are the key properties of 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole?
1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole has a molecular weight of 227.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole is sourced from PubChem (CID 62480319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).