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

C10H13ClN2S2 — CID 103757201

IUPAC2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
SMILESClc1cc(NCC2CSCCS2)ccn1
InChIInChI=1S/C10H13ClN2S2/c11-10-5-8(1-2-12-10)13-6-9-7-14-3-4-15-9/h1-2,5,9H,3-4,6-7H2,(H,12,13)
InChIKeyUJYAVBVHKMZTKN-UHFFFAOYSA-N
MW260.81 g/mol
LogP3.00
Rot. Bonds3

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

2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine (PubChem CID 103757201) has the molecular formula C10H13ClN2S2 and a molecular weight of 260.81 g/mol. Its IUPAC name is 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
PubChem CID103757201
Molecular FormulaC10H13ClN2S2
Molecular Weight260.81 g/mol
Exact Mass260.02
IUPAC Name2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
SMILESClc1cc(NCC2CSCCS2)ccn1
InChIInChI=1S/C10H13ClN2S2/c11-10-5-8(1-2-12-10)13-6-9-7-14-3-4-15-9/h1-2,5,9H,3-4,6-7H2,(H,12,13)
InChIKeyUJYAVBVHKMZTKN-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116797435
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
4-(1,4-dithian-2-ylmethylamino)-2-methylbenzoic acid
CID 113489433
6-chloro-N-(1,4-dithian-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 113489554
N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
CID 115689494
3,5-dichloro-6-N-(1,4-dithian-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102759928
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
CID 82835481
5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115689549
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
CID 133368861
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine (CID 103757201) is 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine is Clc1cc(NCC2CSCCS2)ccn1.
What is the InChIKey of 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine?
The InChIKey is UJYAVBVHKMZTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S2/c11-10-5-8(1-2-12-10)13-6-9-7-14-3-4-15-9/h1-2,5,9H,3-4,6-7H2,(H,12,13).
What are the key properties of 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine?
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine has a molecular weight of 260.81 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 103757201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).