5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine

C16H31NS — CID 143716348

IUPAC5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCCCCCCCC(CCC)C1=C(C)NCCS1
InChIInChI=1S/C16H31NS/c1-4-6-7-8-9-11-15(10-5-2)16-14(3)17-12-13-18-16/h15,17H,4-13H2,1-3H3
InChIKeyYPEMJVNRYWGXBO-UHFFFAOYSA-N
MW269.50 g/mol
LogP5.33
Rot. Bonds9

About 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine

5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 143716348) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
PubChem CID143716348
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCCCCCCCC(CCC)C1=C(C)NCCS1
InChIInChI=1S/C16H31NS/c1-4-6-7-8-9-11-15(10-5-2)16-14(3)17-12-13-18-16/h15,17H,4-13H2,1-3H3
InChIKeyYPEMJVNRYWGXBO-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.50
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-heptyl-6-hexan-3-yl-3,4-dihydro-2H-1,4-thiazine
CID 71089024
N-[2-(2,6-dimethyl-4-propylcyclohex-3-en-1-yl)sulfanylethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123631164
10-Ethyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716334
5-Ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716398
2-Methyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716433
2-Ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716445
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716495
6-methyl-5-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716509
4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
CID 143716566
10-Methyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716575
2-Propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716576
5,9-Dipropyl-2,3,4,5,6,7,8,9-octahydrocyclohepta[b][1,4]thiazine
CID 143716587

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine (CID 143716348) is 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine is CCCCCCCC(CCC)C1=C(C)NCCS1.
What is the InChIKey of 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is YPEMJVNRYWGXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-4-6-7-8-9-11-15(10-5-2)16-14(3)17-12-13-18-16/h15,17H,4-13H2,1-3H3.
What are the key properties of 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine?
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 269.50 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 143716348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).