(5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride

C6H11ClN2O2S2 — CID 142503440

IUPAC(5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCCS(=O)(=O)c1cnc(CN)s1.Cl
InChIInChI=1S/C6H10N2O2S2.ClH/c1-2-12(9,10)6-4-8-5(3-7)11-6;/h4H,2-3,7H2,1H3;1H
InChIKeyCNRXYAMUIBUOJA-UHFFFAOYSA-N
MW242.75 g/mol
LogP0.82
Rot. Bonds3

About (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride

(5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride (PubChem CID 142503440) has the molecular formula C6H11ClN2O2S2 and a molecular weight of 242.75 g/mol. Its IUPAC name is (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
PubChem CID142503440
Molecular FormulaC6H11ClN2O2S2
Molecular Weight242.75 g/mol
Exact Mass242.00
IUPAC Name(5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCCS(=O)(=O)c1cnc(CN)s1.Cl
InChIInChI=1S/C6H10N2O2S2.ClH/c1-2-12(9,10)6-4-8-5(3-7)11-6;/h4H,2-3,7H2,1H3;1H
InChIKeyCNRXYAMUIBUOJA-UHFFFAOYSA-N
XLogP0.82
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride (CID 142503440) is (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride is CCS(=O)(=O)c1cnc(CN)s1.Cl.
What is the InChIKey of (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
The InChIKey is CNRXYAMUIBUOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2.ClH/c1-2-12(9,10)6-4-8-5(3-7)11-6;/h4H,2-3,7H2,1H3;1H.
What are the key properties of (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride?
(5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 142503440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).