7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride

C9H16ClNS — CID 71385140

IUPAC7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride
SMILESCN1C2CCC3SC(C2)CC31.Cl
InChIInChI=1S/C9H15NS.ClH/c1-10-6-2-3-9-8(10)5-7(4-6)11-9;/h6-9H,2-5H2,1H3;1H
InChIKeyUTSBSPBWQDVZEN-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.15
Rot. Bonds

About 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride

7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride (PubChem CID 71385140) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride.

Molecular Properties

Compound Name7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride
PubChem CID71385140
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride
SMILESCN1C2CCC3SC(C2)CC31.Cl
InChIInChI=1S/C9H15NS.ClH/c1-10-6-2-3-9-8(10)5-7(4-6)11-9;/h6-9H,2-5H2,1H3;1H
InChIKeyUTSBSPBWQDVZEN-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride?
The IUPAC name of 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride (CID 71385140) is 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride.
What is the SMILES notation for 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride?
The canonical SMILES for 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride is CN1C2CCC3SC(C2)CC31.Cl.
What is the InChIKey of 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride?
The InChIKey is UTSBSPBWQDVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.ClH/c1-10-6-2-3-9-8(10)5-7(4-6)11-9;/h6-9H,2-5H2,1H3;1H.
What are the key properties of 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride?
7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride has a molecular weight of 205.75 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-thia-7-azatricyclo[4.3.1.03,8]decane;hydrochloride is sourced from PubChem (CID 71385140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).