(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane

C9H15N5S — CID 97301352

IUPAC(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane
SMILESCn1nnnc1SC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H15N5S/c1-14-9(11-12-13-14)15-8-4-6-2-3-7(5-8)10-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKeyAEPAGDZQPWVXCN-DHBOJHSNSA-N
MW225.32 g/mol
LogP0.59
Rot. Bonds2

About (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane (PubChem CID 97301352) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane
PubChem CID97301352
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane
SMILESCn1nnnc1SC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C9H15N5S/c1-14-9(11-12-13-14)15-8-4-6-2-3-7(5-8)10-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKeyAEPAGDZQPWVXCN-DHBOJHSNSA-N
XLogP0.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole
CID 94401599
trans-(1R,2R)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732739
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 60714690
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
3-(1-methyltetrazol-5-yl)sulfanylazepan-2-one
CID 42930234
N-methyl-2-(1-methyltetrazol-5-yl)sulfanylcyclooctan-1-amine
CID 64620986
1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile
CID 79637008
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636012
1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
CID 54427991
1-methyl-5-[(1-methyltetrazol-5-yl)tetrasulfanyl]tetrazole
CID 54538626
(1S,5S)-3-pyrimidin-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
CID 98116368
methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79633730

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane (CID 97301352) is (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane is Cn1nnnc1SC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane?
The InChIKey is AEPAGDZQPWVXCN-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H15N5S/c1-14-9(11-12-13-14)15-8-4-6-2-3-7(5-8)10-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?.
What are the key properties of (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane has a molecular weight of 225.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(1-methyltetrazol-5-yl)sulfanyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 97301352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).