2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine

C7H12N2O2S2 — CID 61283283

IUPAC2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCc1nccs1
InChIInChI=1S/C7H12N2O2S2/c1-13(10,11)5-3-8-6-7-9-2-4-12-7/h2,4,8H,3,5-6H2,1H3
InChIKeyVQFHYJLZQRTSSD-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.28
Rot. Bonds5

About 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine

2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 61283283) has the molecular formula C7H12N2O2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID61283283
Molecular FormulaC7H12N2O2S2
Molecular Weight220.32 g/mol
Exact Mass220.03
IUPAC Name2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCc1nccs1
InChIInChI=1S/C7H12N2O2S2/c1-13(10,11)5-3-8-6-7-9-2-4-12-7/h2,4,8H,3,5-6H2,1H3
InChIKeyVQFHYJLZQRTSSD-UHFFFAOYSA-N
XLogP0.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
3-methylsulfinyl-N-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 115711563
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 61283283) is 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine is CS(=O)(=O)CCNCc1nccs1.
What is the InChIKey of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is VQFHYJLZQRTSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2/c1-13(10,11)5-3-8-6-7-9-2-4-12-7/h2,4,8H,3,5-6H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine?
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 61283283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).