2-methyl-5-thia-2-azaspiro[3.5]nonane

C8H15NS — CID 82415822

IUPAC2-methyl-5-thia-2-azaspiro[3.5]nonane
SMILESCN1CC2(CCCCS2)C1
InChIInChI=1S/C8H15NS/c1-9-6-8(7-9)4-2-3-5-10-8/h2-7H2,1H3
InChIKeyLGDPFQPCUNKUCS-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.59
Rot. Bonds

About 2-methyl-5-thia-2-azaspiro[3.5]nonane

2-methyl-5-thia-2-azaspiro[3.5]nonane (PubChem CID 82415822) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methyl-5-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-5-thia-2-azaspiro[3.5]nonane
PubChem CID82415822
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methyl-5-thia-2-azaspiro[3.5]nonane
SMILESCN1CC2(CCCCS2)C1
InChIInChI=1S/C8H15NS/c1-9-6-8(7-9)4-2-3-5-10-8/h2-7H2,1H3
InChIKeyLGDPFQPCUNKUCS-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
2,7-Dimethyl-5-thia-2-azaspiro[3.4]octane
CID 163390289
1-Methyl-3-(3-methylsulfanylpropyl)azetidine
CID 166688597
N,N-dimethyl-1-[(3R)-thian-3-yl]methanamine
CID 167102404
2-Methyl-6-thia-2-azaspiro[3.5]nonane
CID 82415823
2-Propan-2-yl-1-(thian-4-yl)azetidine
CID 130685806
1-Methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763445
Dimethyl[(thian-3-yl)methyl]amine
CID 165981571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thia-2-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-5-thia-2-azaspiro[3.5]nonane (CID 82415822) is 2-methyl-5-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-5-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-5-thia-2-azaspiro[3.5]nonane is CN1CC2(CCCCS2)C1.
What is the InChIKey of 2-methyl-5-thia-2-azaspiro[3.5]nonane?
The InChIKey is LGDPFQPCUNKUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-6-8(7-9)4-2-3-5-10-8/h2-7H2,1H3.
What are the key properties of 2-methyl-5-thia-2-azaspiro[3.5]nonane?
2-methyl-5-thia-2-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 2-methyl-5-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 82415822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).