5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine

C14H27N3S — CID 114164083

IUPAC5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCN2CCCC2)SC1
InChIInChI=1S/C14H27N3S/c1-3-14(4-2)11-16-13(18-12-14)15-7-10-17-8-5-6-9-17/h3-12H2,1-2H3,(H,15,16)
InChIKeyDBPKJVLQZYGCNU-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.58
Rot. Bonds5

About 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine

5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 114164083) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID114164083
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCN2CCCC2)SC1
InChIInChI=1S/C14H27N3S/c1-3-14(4-2)11-16-13(18-12-14)15-7-10-17-8-5-6-9-17/h3-12H2,1-2H3,(H,15,16)
InChIKeyDBPKJVLQZYGCNU-UHFFFAOYSA-N
XLogP2.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 113294282
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
5,5-diethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 114164268
5,5-diethyl-N-(2,4,5-trichlorophenyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249763
5,5-diethyl-N-(4-methylsulfanylbutan-2-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106251529
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 104670179
5,5-diethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106250571
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969889
1-methyl-N-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 120969301
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 114164083) is 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCCN2CCCC2)SC1.
What is the InChIKey of 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is DBPKJVLQZYGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-3-14(4-2)11-16-13(18-12-14)15-7-10-17-8-5-6-9-17/h3-12H2,1-2H3,(H,15,16).
What are the key properties of 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 269.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 114164083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).