N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H21N3S — CID 43148982

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCN1CCCC1CNC1=NCCCS1
InChIInChI=1S/C11H21N3S/c1-2-14-7-3-5-10(14)9-13-11-12-6-4-8-15-11/h10H,2-9H2,1H3,(H,12,13)
InChIKeyBBXDMFVGHVLERY-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.55
Rot. Bonds3

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 43148982) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID43148982
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCN1CCCC1CNC1=NCCCS1
InChIInChI=1S/C11H21N3S/c1-2-14-7-3-5-10(14)9-13-11-12-6-4-8-15-11/h10H,2-9H2,1H3,(H,12,13)
InChIKeyBBXDMFVGHVLERY-UHFFFAOYSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13018884
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylbutan-1-amine
CID 20213259
2-propylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 53721260
3a,4,5,6,7,7a-Hexahydro 2-(Propylthio) 1H-Benzimidazole Monohydrobromide
CID 70149959
2-pentan-3-ylsulfanyl-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 89931481
ethyl N-(2-aminoethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboximidothioate
CID 134194689
N,4-dimethyl-5-propyl-1,3-thiazolidin-2-imine
CID 143142425
4-(Pyrrolidin-1-ylmethyl)-4,5,6,7-tetrahydro-1,3-thiazepin-2-amine
CID 167088743
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918
1-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]piperidine
CID 169004921
1-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]piperidine
CID 169004930

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 43148982) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CCN1CCCC1CNC1=NCCCS1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BBXDMFVGHVLERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-14-7-3-5-10(14)9-13-11-12-6-4-8-15-11/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 43148982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).