2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane

C15H27NOS — CID 79912308

IUPAC2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
SMILESCC1(C2CCOC3(CCSC3)C2)CCCCCN1
InChIInChI=1S/C15H27NOS/c1-14(6-3-2-4-8-16-14)13-5-9-17-15(11-13)7-10-18-12-15/h13,16H,2-12H2,1H3
InChIKeyGCAYRLKTNIXSSZ-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.21
Rot. Bonds1

About 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane

2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane (PubChem CID 79912308) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane.

Molecular Properties

Compound Name2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
PubChem CID79912308
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
SMILESCC1(C2CCOC3(CCSC3)C2)CCCCCN1
InChIInChI=1S/C15H27NOS/c1-14(6-3-2-4-8-16-14)13-5-9-17-15(11-13)7-10-18-12-15/h13,16H,2-12H2,1H3
InChIKeyGCAYRLKTNIXSSZ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79913501
9-(3-chloro-1-methylcyclopentyl)-6-oxa-2-thiaspiro[4.5]decane
CID 116540212
1,3,3-trimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401248
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
2-cyclopropyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidine
CID 79911011
(1-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 106830971
(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116614150
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79900652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
The IUPAC name of 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane (CID 79912308) is 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane.
What is the SMILES notation for 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
The canonical SMILES for 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane is CC1(C2CCOC3(CCSC3)C2)CCCCCN1.
What is the InChIKey of 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
The InChIKey is GCAYRLKTNIXSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-14(6-3-2-4-8-16-14)13-5-9-17-15(11-13)7-10-18-12-15/h13,16H,2-12H2,1H3.
What are the key properties of 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane?
2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane has a molecular weight of 269.45 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane is sourced from PubChem (CID 79912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).