1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine

C8H15N5S2 — CID 107042718

IUPAC1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CSCCS2)n1
InChIInChI=1S/C8H15N5S2/c1-13-11-8(10-12-13)5-9-4-7-6-14-2-3-15-7/h7,9H,2-6H2,1H3
InChIKeyGFHJDEGHOKCNKR-UHFFFAOYSA-N
MW245.38 g/mol
LogP0.15
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine

1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 107042718) has the molecular formula C8H15N5S2 and a molecular weight of 245.38 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID107042718
Molecular FormulaC8H15N5S2
Molecular Weight245.38 g/mol
Exact Mass245.08
IUPAC Name1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCn1nnc(CNCC2CSCCS2)n1
InChIInChI=1S/C8H15N5S2/c1-13-11-8(10-12-13)5-9-4-7-6-14-2-3-15-7/h7,9H,2-6H2,1H3
InChIKeyGFHJDEGHOKCNKR-UHFFFAOYSA-N
XLogP0.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248
1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 113256937
N-[1-(1,4-dithian-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050245
1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107054065
4-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-diethylaniline
CID 115696118
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-5-yl)methyl]methanamine
CID 115696168
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115685226
1-[(2R)-1,4-dithian-2-yl]-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 96535964
1-(1,4-dithian-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 115685290
1-(1,4-dithian-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 115696225

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 107042718) is 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine is Cn1nnc(CNCC2CSCCS2)n1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is GFHJDEGHOKCNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S2/c1-13-11-8(10-12-13)5-9-4-7-6-14-2-3-15-7/h7,9H,2-6H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 245.38 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 107042718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).