N-methyl-1-(4-methylthian-4-yl)methanamine

C8H17NS — CID 166976391

IUPACN-methyl-1-(4-methylthian-4-yl)methanamine
SMILESCNCC1(C)CCSCC1
InChIInChI=1S/C8H17NS/c1-8(7-9-2)3-5-10-6-4-8/h9H,3-7H2,1-2H3
InChIKeyOUOBXOVWQNGHLE-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.74
Rot. Bonds2

About N-methyl-1-(4-methylthian-4-yl)methanamine

N-methyl-1-(4-methylthian-4-yl)methanamine (PubChem CID 166976391) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-1-(4-methylthian-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthian-4-yl)methanamine
PubChem CID166976391
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-1-(4-methylthian-4-yl)methanamine
SMILESCNCC1(C)CCSCC1
InChIInChI=1S/C8H17NS/c1-8(7-9-2)3-5-10-6-4-8/h9H,3-7H2,1-2H3
InChIKeyOUOBXOVWQNGHLE-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthian-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylthian-4-yl)methanamine (CID 166976391) is N-methyl-1-(4-methylthian-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylthian-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylthian-4-yl)methanamine is CNCC1(C)CCSCC1.
What is the InChIKey of N-methyl-1-(4-methylthian-4-yl)methanamine?
The InChIKey is OUOBXOVWQNGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(7-9-2)3-5-10-6-4-8/h9H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylthian-4-yl)methanamine?
N-methyl-1-(4-methylthian-4-yl)methanamine has a molecular weight of 159.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthian-4-yl)methanamine is sourced from PubChem (CID 166976391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).