(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane

C7H13NS — CID 155425689

IUPAC(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
SMILESC[C@H]1CC2(CN1)CSC2
InChIInChI=1S/C7H13NS/c1-6-2-7(3-8-6)4-9-5-7/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyNRGHGEYNOCWDAE-LURJTMIESA-N
MW143.25 g/mol
LogP1.10
Rot. Bonds

About (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane

(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane (PubChem CID 155425689) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
PubChem CID155425689
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
SMILESC[C@H]1CC2(CN1)CSC2
InChIInChI=1S/C7H13NS/c1-6-2-7(3-8-6)4-9-5-7/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyNRGHGEYNOCWDAE-LURJTMIESA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane?
The IUPAC name of (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane (CID 155425689) is (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane.
What is the SMILES notation for (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane?
The canonical SMILES for (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane is C[C@H]1CC2(CN1)CSC2.
What is the InChIKey of (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane?
The InChIKey is NRGHGEYNOCWDAE-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NS/c1-6-2-7(3-8-6)4-9-5-7/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane?
(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane has a molecular weight of 143.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2-thia-7-azaspiro[3.4]octane is sourced from PubChem (CID 155425689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).