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

Name: 1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₅NOS — CID 156736357

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
PubChem CID	156736357
Molecular Formula	C₈H₁₅NOS
Molecular Weight	173.28 g/mol
Exact Mass	173.09
IUPAC Name	1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
SMILES	CN1CCC12CCS(=O)CC2
InChI	InChI=1S/C8H15NOS/c1-9-5-2-8(9)3-6-11(10)7-4-8/h2-7H2,1H3
InChIKey	DUVHXOHQSARATR-UHFFFAOYSA-N
XLogP	0.60
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.28
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 156736357 — identifiers, structure, computed properties (public domain)

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