1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

C9H16N2O2S2 — CID 64629765

IUPAC1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCc1ncsc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-7(5-15(3,12)13)10-4-9-8(2)11-6-14-9/h6-7,10H,4-5H2,1-3H3
InChIKeyIFCLMAYXLJUNPA-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.97
Rot. Bonds5

About 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine

1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 64629765) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID64629765
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCc1ncsc1CNC(C)CS(C)(=O)=O
InChIInChI=1S/C9H16N2O2S2/c1-7(5-15(3,12)13)10-4-9-8(2)11-6-14-9/h6-7,10H,4-5H2,1-3H3
InChIKeyIFCLMAYXLJUNPA-UHFFFAOYSA-N
XLogP0.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 63281061
2-[(3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]isoindole-1,3-dione
CID 99855729
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108
3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 103699284
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 64629765) is 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is Cc1ncsc1CNC(C)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is IFCLMAYXLJUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-7(5-15(3,12)13)10-4-9-8(2)11-6-14-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 64629765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).