2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine

C6H11N3O2S2 — CID 60919941

IUPAC2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCc1csnn1
InChIInChI=1S/C6H11N3O2S2/c1-13(10,11)3-2-7-4-6-5-12-9-8-6/h5,7H,2-4H2,1H3
InChIKeyXSUKVJPWKLLYRO-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.33
Rot. Bonds5

About 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine

2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 60919941) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID60919941
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCS(=O)(=O)CCNCc1csnn1
InChIInChI=1S/C6H11N3O2S2/c1-13(10,11)3-2-7-4-6-5-12-9-8-6/h5,7H,2-4H2,1H3
InChIKeyXSUKVJPWKLLYRO-UHFFFAOYSA-N
XLogP-0.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 60919941) is 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine is CS(=O)(=O)CCNCc1csnn1.
What is the InChIKey of 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is XSUKVJPWKLLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-13(10,11)3-2-7-4-6-5-12-9-8-6/h5,7H,2-4H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine?
2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 221.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 60919941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).