1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide

C8H15NOS — CID 156736357

IUPAC1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
SMILESCN1CCC12CCS(=O)CC2
InChIInChI=1S/C8H15NOS/c1-9-5-2-8(9)3-6-11(10)7-4-8/h2-7H2,1H3
InChIKeyDUVHXOHQSARATR-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.60
Rot. Bonds

About 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide

1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide (PubChem CID 156736357) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Name1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
PubChem CID156736357
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
SMILESCN1CCC12CCS(=O)CC2
InChIInChI=1S/C8H15NOS/c1-9-5-2-8(9)3-6-11(10)7-4-8/h2-7H2,1H3
InChIKeyDUVHXOHQSARATR-UHFFFAOYSA-N
XLogP0.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Propan-2-ylazetidin-1-yl)thiane 1-oxide
CID 58054366
1-Tert-butyl-4-tert-butylsulfinylpiperidine
CID 59522775
Ethane;2-methyl-7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145026629
1-Propan-2-yl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 159419663
Ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763444
1-Ethyl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 162763625
Ethane;1-methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 166144595
2-Tert-butyl-7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
CID 167291889
1-Methyl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 174279716
2-Methyl-7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145026630
1-Methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763445

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
The IUPAC name of 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide (CID 156736357) is 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
The canonical SMILES for 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide is CN1CCC12CCS(=O)CC2.
What is the InChIKey of 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
The InChIKey is DUVHXOHQSARATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-9-5-2-8(9)3-6-11(10)7-4-8/h2-7H2,1H3.
What are the key properties of 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide has a molecular weight of 173.28 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 156736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).