N-(1,4-dithian-2-ylmethyl)pyridin-2-amine

C10H14N2S2 — CID 115685335

IUPACN-(1,4-dithian-2-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCC2CSCCS2)nc1
InChIInChI=1S/C10H14N2S2/c1-2-4-11-10(3-1)12-7-9-8-13-5-6-14-9/h1-4,9H,5-8H2,(H,11,12)
InChIKeyDPSDHWPZLCUTCA-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.34
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)pyridin-2-amine

N-(1,4-dithian-2-ylmethyl)pyridin-2-amine (PubChem CID 115685335) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)pyridin-2-amine
PubChem CID115685335
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC NameN-(1,4-dithian-2-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCC2CSCCS2)nc1
InChIInChI=1S/C10H14N2S2/c1-2-4-11-10(3-1)12-7-9-8-13-5-6-14-9/h1-4,9H,5-8H2,(H,11,12)
InChIKeyDPSDHWPZLCUTCA-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
CID 115689494
N-(1,4-dithian-2-ylmethyl)-5-nitropyridin-2-amine
CID 113253344
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 102625824
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
CID 133368861
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
3-(1,4-dithian-2-ylmethylamino)-1H-pyrazin-2-one
CID 115689484
4-(1,4-dithian-2-ylmethylamino)cinnoline-3-carbonitrile
CID 115685301
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridine-3-carboxamide
CID 115687003
1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)pyridin-2-amine (CID 115685335) is N-(1,4-dithian-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)pyridin-2-amine is c1ccc(NCC2CSCCS2)nc1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
The InChIKey is DPSDHWPZLCUTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-2-4-11-10(3-1)12-7-9-8-13-5-6-14-9/h1-4,9H,5-8H2,(H,11,12).
What are the key properties of N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine has a molecular weight of 226.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 115685335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).