2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane

C14H29NS — CID 123975479

IUPAC2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane
SMILESCCC1C(C)SC(CC)N(C)C(CC)C1C
InChIInChI=1S/C14H29NS/c1-7-12-10(4)13(8-2)15(6)14(9-3)16-11(12)5/h10-14H,7-9H2,1-6H3
InChIKeyWDPCPOLMZIJKRG-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.23
Rot. Bonds3

About 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane

2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane (PubChem CID 123975479) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane.

Molecular Properties

Compound Name2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane
PubChem CID123975479
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane
SMILESCCC1C(C)SC(CC)N(C)C(CC)C1C
InChIInChI=1S/C14H29NS/c1-7-12-10(4)13(8-2)15(6)14(9-3)16-11(12)5/h10-14H,7-9H2,1-6H3
InChIKeyWDPCPOLMZIJKRG-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Ditert-butyl-4-methyl-1,4-thiazepane
CID 20761819
(5R,7S)-7-tert-butyl-2,3,4-trimethyl-5-propan-2-yl-1,4-thiazepane
CID 59907738
4-ethyl-3,5,5a,6,7,8,9,9a-octahydro-2H-benzo[f][1,4]thiazepine
CID 89575200
4-Butan-2-yl-1,2-dimethyl-7-(5-methylthiolan-2-yl)azepane
CID 91499363
4,7-Dimethyl-7-propan-2-yl-1,4-thiazepane
CID 123309568
N,2,4-trimethyl-N-(1-methylsulfanylethyl)heptan-3-amine
CID 123347537
3,4-Di(propan-2-yl)-1,3-thiazepane
CID 130277192
1-Tert-butyl-4-(1-methylsulfanylethyl)azepane
CID 130292029
2-Ethyl-5,6,6-trimethyl-4,7-di(propan-2-yl)-1,4-thiazepane
CID 134536339
4-Methyl-1-(thian-4-yl)azepane
CID 142101479
4,5,6,7-Tetra(propan-2-yl)-1,4-thiazepane
CID 153310497
6-(Methylsulfanylmethyl)-2-propan-2-yl-2-azabicyclo[3.2.0]heptane
CID 156053787

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane?
The IUPAC name of 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane (CID 123975479) is 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane.
What is the SMILES notation for 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane?
The canonical SMILES for 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane is CCC1C(C)SC(CC)N(C)C(CC)C1C.
What is the InChIKey of 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane?
The InChIKey is WDPCPOLMZIJKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-7-12-10(4)13(8-2)15(6)14(9-3)16-11(12)5/h10-14H,7-9H2,1-6H3.
What are the key properties of 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane?
2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane has a molecular weight of 243.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-3,5,7-trimethyl-1,3-thiazepane is sourced from PubChem (CID 123975479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).