2-cycloheptyl-6-methyl-1,3-thiazinane

C12H23NS — CID 66224673

IUPAC2-cycloheptyl-6-methyl-1,3-thiazinane
SMILESCC1CCNC(C2CCCCCC2)S1
InChIInChI=1S/C12H23NS/c1-10-8-9-13-12(14-10)11-6-4-2-3-5-7-11/h10-13H,2-9H2,1H3
InChIKeyFDHLKJGFGWQSGK-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.40
Rot. Bonds1

About 2-cycloheptyl-6-methyl-1,3-thiazinane

2-cycloheptyl-6-methyl-1,3-thiazinane (PubChem CID 66224673) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-cycloheptyl-6-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-cycloheptyl-6-methyl-1,3-thiazinane
PubChem CID66224673
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-cycloheptyl-6-methyl-1,3-thiazinane
SMILESCC1CCNC(C2CCCCCC2)S1
InChIInChI=1S/C12H23NS/c1-10-8-9-13-12(14-10)11-6-4-2-3-5-7-11/h10-13H,2-9H2,1H3
InChIKeyFDHLKJGFGWQSGK-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(oxolan-3-yl)-1,3-thiazinane
CID 66224217
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
2-ethyl-6-methyl-1,3-thiazinane
CID 66226254
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
1-cyclodecyl-6-methylcycloundecane
CID 123480440
azane;cyclohexylcyclohexane
CID 66583255
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-6-methyl-1,3-thiazinane?
The IUPAC name of 2-cycloheptyl-6-methyl-1,3-thiazinane (CID 66224673) is 2-cycloheptyl-6-methyl-1,3-thiazinane.
What is the SMILES notation for 2-cycloheptyl-6-methyl-1,3-thiazinane?
The canonical SMILES for 2-cycloheptyl-6-methyl-1,3-thiazinane is CC1CCNC(C2CCCCCC2)S1.
What is the InChIKey of 2-cycloheptyl-6-methyl-1,3-thiazinane?
The InChIKey is FDHLKJGFGWQSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10-8-9-13-12(14-10)11-6-4-2-3-5-7-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-cycloheptyl-6-methyl-1,3-thiazinane?
2-cycloheptyl-6-methyl-1,3-thiazinane has a molecular weight of 213.39 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-6-methyl-1,3-thiazinane is sourced from PubChem (CID 66224673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).