5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine

C13H25N3S — CID 113294282

IUPAC5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCCN2CCCC2)SC1
InChIInChI=1S/C13H25N3S/c1-13(2)10-15-12(17-11-13)14-6-5-9-16-7-3-4-8-16/h3-11H2,1-2H3,(H,14,15)
InChIKeyMNLCVWVCIRROJA-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds4

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

5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 113294282) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID113294282
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC1(C)CN=C(NCCCN2CCCC2)SC1
InChIInChI=1S/C13H25N3S/c1-13(2)10-15-12(17-11-13)14-6-5-9-16-7-3-4-8-16/h3-11H2,1-2H3,(H,14,15)
InChIKeyMNLCVWVCIRROJA-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 114164083
5,5-dimethyl-N-(2-methylsulfanylethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 115361656
N-(2-cyclopropylethyl)-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 115361732
N-[2-(5-chlorothiophen-2-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 114140703
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
1,3-dimethyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 55140744
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 104670279
3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 177158499

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 113294282) is 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine is CC1(C)CN=C(NCCCN2CCCC2)SC1.
What is the InChIKey of 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is MNLCVWVCIRROJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-13(2)10-15-12(17-11-13)14-6-5-9-16-7-3-4-8-16/h3-11H2,1-2H3,(H,14,15).
What are the key properties of 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 113294282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).