ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide

C10H21NOS — CID 145026629

IUPACethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide
SMILESCC.CN1CC2(CCS(=O)CC2)C1
InChIInChI=1S/C8H15NOS.C2H6/c1-9-6-8(7-9)2-4-11(10)5-3-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyJQKVMNHUVDXAFJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds

About ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide

ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide (PubChem CID 145026629) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Nameethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide
PubChem CID145026629
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Nameethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide
SMILESCC.CN1CC2(CCS(=O)CC2)C1
InChIInChI=1S/C8H15NOS.C2H6/c1-9-6-8(7-9)2-4-11(10)5-3-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyJQKVMNHUVDXAFJ-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Ethyl-2-methylbutyl)-1,4-thiazinane 1-oxide
CID 68069453
2-Methyl-7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
CID 123525091
2-Methyl-7-thia-2-azaspiro[3.5]nonane
CID 139310138
Ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane
CID 145026644
Ethane;7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145675244
1-Methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 156736357
4-[(3-Methylazetidin-1-yl)methyl]thiane 1,1-dioxide
CID 163697361
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
3-Ethyl-1-methyl-3-(2-methylsulfonylethyl)azetidine
CID 167285444
2-Tert-butyl-7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
CID 167291889
3-(Tert-butylsulfinylmethyl)-1-methyl-3-propan-2-ylazetidine
CID 167651470

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
The IUPAC name of ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide (CID 145026629) is ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
The canonical SMILES for ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide is CC.CN1CC2(CCS(=O)CC2)C1.
What is the InChIKey of ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
The InChIKey is JQKVMNHUVDXAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.C2H6/c1-9-6-8(7-9)2-4-11(10)5-3-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide?
ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7λ4-thia-2-azaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 145026629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).