5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine

C16H30N2S — CID 115361783

IUPAC5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC(C)CC1(CNC2=NCC(C)(C)CS2)CCCC1
InChIInChI=1S/C16H30N2S/c1-13(2)9-16(7-5-6-8-16)11-18-14-17-10-15(3,4)12-19-14/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyKVWQBFOZFVHFMP-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.31
Rot. Bonds4

About 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361783) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361783
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC(C)CC1(CNC2=NCC(C)(C)CS2)CCCC1
InChIInChI=1S/C16H30N2S/c1-13(2)9-16(7-5-6-8-16)11-18-14-17-10-15(3,4)12-19-14/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyKVWQBFOZFVHFMP-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 115361783) is 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine is CC(C)CC1(CNC2=NCC(C)(C)CS2)CCCC1.
What is the InChIKey of 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is KVWQBFOZFVHFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-13(2)9-16(7-5-6-8-16)11-18-14-17-10-15(3,4)12-19-14/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 282.50 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).