N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine

C11H19N3S2 — CID 115386793

IUPACN-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)C1SCCSC1C
InChIInChI=1S/C11H19N3S2/c1-8-11(16-5-4-15-8)10(12-2)9-6-13-14(3)7-9/h6-8,10-12H,4-5H2,1-3H3
InChIKeyNFJRHCBAAJVSLH-UHFFFAOYSA-N
MW257.43 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine

N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115386793) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID115386793
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine
SMILESCNC(c1cnn(C)c1)C1SCCSC1C
InChIInChI=1S/C11H19N3S2/c1-8-11(16-5-4-15-8)10(12-2)9-6-13-14(3)7-9/h6-8,10-12H,4-5H2,1-3H3
InChIKeyNFJRHCBAAJVSLH-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 113299695
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
[(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259535
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 114659538
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65390436
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
CID 105255705
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65409933
1-(3-methoxyphenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299540
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 114659560
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115808934
N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911590
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine (CID 115386793) is N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine is CNC(c1cnn(C)c1)C1SCCSC1C.
What is the InChIKey of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is NFJRHCBAAJVSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-8-11(16-5-4-15-8)10(12-2)9-6-13-14(3)7-9/h6-8,10-12H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine?
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 257.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115386793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).