N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine

C10H18N2S — CID 130841585

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
SMILESCN1CC=C(CNC2CSC2)CC1
InChIInChI=1S/C10H18N2S/c1-12-4-2-9(3-5-12)6-11-10-7-13-8-10/h2,10-11H,3-8H2,1H3
InChIKeyUWERXOHOMKZDRL-UHFFFAOYSA-N
MW198.33 g/mol
LogP0.95
Rot. Bonds3

About N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine (PubChem CID 130841585) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
PubChem CID130841585
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
SMILESCN1CC=C(CNC2CSC2)CC1
InChIInChI=1S/C10H18N2S/c1-12-4-2-9(3-5-12)6-11-10-7-13-8-10/h2,10-11H,3-8H2,1H3
InChIKeyUWERXOHOMKZDRL-UHFFFAOYSA-N
XLogP0.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 144868102
N-[(1-methyl-2,5-dihydropyrrol-3-yl)methyl]cyclobutanamine
CID 117205432
tert-butyl 4-[(thiolan-3-ylamino)methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 104955706
N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
CID 117205505
1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972002
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde
CID 57288665
N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205763
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 167940434
1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
4-bromo-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]naphthalen-1-amine
CID 1205373
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]thietan-3-amine
CID 130622507
4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 14743013

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine (CID 130841585) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine is CN1CC=C(CNC2CSC2)CC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine?
The InChIKey is UWERXOHOMKZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-12-4-2-9(3-5-12)6-11-10-7-13-8-10/h2,10-11H,3-8H2,1H3.
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine has a molecular weight of 198.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine is sourced from PubChem (CID 130841585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).