7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane

C12H21NOS — CID 170384724

IUPAC7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESCSC1(CN2CCC3(CCOC3)C2)CC1
InChIInChI=1S/C12H21NOS/c1-15-12(2-3-12)9-13-6-4-11(8-13)5-7-14-10-11/h2-10H2,1H3
InChIKeyNXLFPKINGFVREG-UHFFFAOYSA-N
MW227.37 g/mol
LogP1.99
Rot. Bonds3

About 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane

7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 170384724) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
PubChem CID170384724
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
SMILESCSC1(CN2CCC3(CCOC3)C2)CC1
InChIInChI=1S/C12H21NOS/c1-15-12(2-3-12)9-13-6-4-11(8-13)5-7-14-10-11/h2-10H2,1H3
InChIKeyNXLFPKINGFVREG-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-ethyl-2-oxa-7-azaspiro[4.4]nonane
CID 142524383
ethane;7-propyl-2-oxa-7-azaspiro[4.4]nonane
CID 171515874
7-[(E)-but-2-enyl]-2-oxa-7-azaspiro[4.4]nonane
CID 131234481
ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
CID 144770357
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
CID 171514883
ethane;8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 143674981
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
2-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)pentanedinitrile
CID 71854535
2-[(3-methylpyrrolidin-3-yl)methyl]-8-oxa-2-azaspiro[4.5]decane;hydrochloride
CID 120904661
8-ethyl-2-oxa-8-azaspiro[5.5]undecane
CID 153357345

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane (CID 170384724) is 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane is CSC1(CN2CCC3(CCOC3)C2)CC1.
What is the InChIKey of 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is NXLFPKINGFVREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-15-12(2-3-12)9-13-6-4-11(8-13)5-7-14-10-11/h2-10H2,1H3.
What are the key properties of 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane?
7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 227.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylsulfanylcyclopropyl)methyl]-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 170384724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).