1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole

C6H11N5S — CID 94401599

IUPAC1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole
SMILESCn1nnnc1S[C@@H]1CCNC1
InChIInChI=1S/C6H11N5S/c1-11-6(8-9-10-11)12-5-2-3-7-4-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyXXJLCGVXZKARLI-RXMQYKEDSA-N
MW185.26 g/mol
LogP-0.34
Rot. Bonds2

About 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole

1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole (PubChem CID 94401599) has the molecular formula C6H11N5S and a molecular weight of 185.26 g/mol. Its IUPAC name is 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole.

Molecular Properties

Compound Name1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole
PubChem CID94401599
Molecular FormulaC6H11N5S
Molecular Weight185.26 g/mol
Exact Mass185.07
IUPAC Name1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole
SMILESCn1nnnc1S[C@@H]1CCNC1
InChIInChI=1S/C6H11N5S/c1-11-6(8-9-10-11)12-5-2-3-7-4-5/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyXXJLCGVXZKARLI-RXMQYKEDSA-N
XLogP-0.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane
CID 97301352
1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
CID 62371631
1-methyl-2-pyrrolidin-3-ylsulfanylimidazole
CID 62328973
3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one
CID 42930234
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]piperidine
CID 104603698
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
2-methyl-5-pyrrolidin-3-ylsulfanyl-1,3,4-oxadiazole
CID 62328978
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
CID 64620986
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
3-phenylsulfanylpyrrolidine
CID 18337182

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole?
The IUPAC name of 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole (CID 94401599) is 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole.
What is the SMILES notation for 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole?
The canonical SMILES for 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole is Cn1nnnc1S[C@@H]1CCNC1.
What is the InChIKey of 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole?
The InChIKey is XXJLCGVXZKARLI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N5S/c1-11-6(8-9-10-11)12-5-2-3-7-4-5/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole?
1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole has a molecular weight of 185.26 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole is sourced from PubChem (CID 94401599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).