1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

C10H17N3S2 — CID 115685248

IUPAC1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CSCCS1
InChIInChI=1S/C10H17N3S2/c1-13-3-2-12-10(13)7-11-6-9-8-14-4-5-15-9/h2-3,9,11H,4-8H2,1H3
InChIKeyJESRHHUTQVROIE-UHFFFAOYSA-N
MW243.40 g/mol
LogP1.36
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 115685248) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID115685248
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCC1CSCCS1
InChIInChI=1S/C10H17N3S2/c1-13-3-2-12-10(13)7-11-6-9-8-14-4-5-15-9/h2-3,9,11H,4-8H2,1H3
InChIKeyJESRHHUTQVROIE-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042718
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352515
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 113256937
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115696168
1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
CID 115696098
1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115685226
1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
1-(1,4-dithian-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 115685290
1-(1,4-dithian-2-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530528

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 115685248) is 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCC1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is JESRHHUTQVROIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-13-3-2-12-10(13)7-11-6-9-8-14-4-5-15-9/h2-3,9,11H,4-8H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 243.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 115685248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).