4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine

C10H18N2OS2 — CID 115697611

IUPAC4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
SMILESCc1csc(CNC(C)CCS(C)=O)n1
InChIInChI=1S/C10H18N2OS2/c1-8(4-5-15(3)13)11-6-10-12-9(2)7-14-10/h7-8,11H,4-6H2,1-3H3
InChIKeyMKNHFGVUNQRVTJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.70
Rot. Bonds6

About 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine

4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine (PubChem CID 115697611) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
PubChem CID115697611
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
SMILESCc1csc(CNC(C)CCS(C)=O)n1
InChIInChI=1S/C10H18N2OS2/c1-8(4-5-15(3)13)11-6-10-12-9(2)7-14-10/h7-8,11H,4-6H2,1-3H3
InChIKeyMKNHFGVUNQRVTJ-UHFFFAOYSA-N
XLogP1.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 78992450
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 84595105
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 61043134
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
1-(2,5-dimethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913361
1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 114274441
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 111449241

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine (CID 115697611) is 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine is Cc1csc(CNC(C)CCS(C)=O)n1.
What is the InChIKey of 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
The InChIKey is MKNHFGVUNQRVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-8(4-5-15(3)13)11-6-10-12-9(2)7-14-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 115697611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).