3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane

C21H38N2S — CID 164868073

IUPAC3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane
SMILESCSC1CCC12CCN(CCN1CC3(CCC(C(C)C)C3)C1)CC2
InChIInChI=1S/C21H38N2S/c1-17(2)18-4-6-20(14-18)15-23(16-20)13-12-22-10-8-21(9-11-22)7-5-19(21)24-3/h17-19H,4-16H2,1-3H3
InChIKeySODMAQQPTUTCOK-UHFFFAOYSA-N
MW350.62 g/mol
LogP4.35
Rot. Bonds5

About 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane

3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane (PubChem CID 164868073) has the molecular formula C21H38N2S and a molecular weight of 350.62 g/mol. Its IUPAC name is 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane
PubChem CID164868073
Molecular FormulaC21H38N2S
Molecular Weight350.62 g/mol
Exact Mass350.28
IUPAC Name3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane
SMILESCSC1CCC12CCN(CCN1CC3(CCC(C(C)C)C3)C1)CC2
InChIInChI=1S/C21H38N2S/c1-17(2)18-4-6-20(14-18)15-23(16-20)13-12-22-10-8-21(9-11-22)7-5-19(21)24-3/h17-19H,4-16H2,1-3H3
InChIKeySODMAQQPTUTCOK-UHFFFAOYSA-N
XLogP4.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
CID 170137918
2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)acetic acid
CID 71244354
2-hydroxy-6-pentan-2-yl-2-azaspiro[3.4]octane
CID 156527484
8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
CID 169125674
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
2-(7-propan-2-yl-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 71244358
3-(azanidacyclobut-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane;yttrium
CID 176984970
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
8-methyl-3-propan-2-yl-9-[2-[(7R)-spiro[3.4]octan-7-yl]propyl]-8-azaspiro[4.5]decane
CID 169125634

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane (CID 164868073) is 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane is CSC1CCC12CCN(CCN1CC3(CCC(C(C)C)C3)C1)CC2.
What is the InChIKey of 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane?
The InChIKey is SODMAQQPTUTCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2S/c1-17(2)18-4-6-20(14-18)15-23(16-20)13-12-22-10-8-21(9-11-22)7-5-19(21)24-3/h17-19H,4-16H2,1-3H3.
What are the key properties of 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane?
3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane has a molecular weight of 350.62 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-7-[2-(6-propan-2-yl-2-azaspiro[3.4]octan-2-yl)ethyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 164868073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).