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

C8H15NS — CID 162763445

IUPAC1-methyl-7-thia-1-azaspiro[3.5]nonane
SMILESCN1CCC12CCSCC2
InChIInChI=1S/C8H15NS/c1-9-5-2-8(9)3-6-10-7-4-8/h2-7H2,1H3
InChIKeyJKVMGRPGVSQMRI-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.59
Rot. Bonds

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

1-methyl-7-thia-1-azaspiro[3.5]nonane (PubChem CID 162763445) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-methyl-7-thia-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Name1-methyl-7-thia-1-azaspiro[3.5]nonane
PubChem CID162763445
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-methyl-7-thia-1-azaspiro[3.5]nonane
SMILESCN1CCC12CCSCC2
InChIInChI=1S/C8H15NS/c1-9-5-2-8(9)3-6-10-7-4-8/h2-7H2,1H3
InChIKeyJKVMGRPGVSQMRI-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-7-thia-2-azaspiro[3.5]nonane
CID 139310138
1-Methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 156736357
Ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763444
2-Propan-2-yl-7-thia-2-azaspiro[3.5]nonane
CID 166054937
Ethane;1-methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 166144595
1-Methyl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 174279716
2-Methyl-5-thia-2-azaspiro[3.5]nonane
CID 82415822
4-[2-(Azetidin-1-yl)ethyl]thian-4-amine
CID 84733794
2-Propan-2-yl-1-(thian-4-yl)azetidine
CID 130685806
2,2-Dimethyl-1-(thian-4-yl)azetidine
CID 130693441
2,2-Dimethyl-1-(thian-3-yl)azetidine
CID 130979434

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-thia-1-azaspiro[3.5]nonane?
The IUPAC name of 1-methyl-7-thia-1-azaspiro[3.5]nonane (CID 162763445) is 1-methyl-7-thia-1-azaspiro[3.5]nonane.
What is the SMILES notation for 1-methyl-7-thia-1-azaspiro[3.5]nonane?
The canonical SMILES for 1-methyl-7-thia-1-azaspiro[3.5]nonane is CN1CCC12CCSCC2.
What is the InChIKey of 1-methyl-7-thia-1-azaspiro[3.5]nonane?
The InChIKey is JKVMGRPGVSQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-5-2-8(9)3-6-10-7-4-8/h2-7H2,1H3.
What are the key properties of 1-methyl-7-thia-1-azaspiro[3.5]nonane?
1-methyl-7-thia-1-azaspiro[3.5]nonane has a molecular weight of 157.28 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-thia-1-azaspiro[3.5]nonane is sourced from PubChem (CID 162763445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).