1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride

C10H19ClN4O2S2 — CID 120902111

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride
SMILESCCNS(=O)(=O)C1CCN(Cc2cnc(N)s2)C1.Cl
InChIInChI=1S/C10H18N4O2S2.ClH/c1-2-13-18(15,16)9-3-4-14(7-9)6-8-5-12-10(11)17-8;/h5,9,13H,2-4,6-7H2,1H3,(H2,11,12);1H
InChIKeyHANQVEFFHPTHIR-UHFFFAOYSA-N
MW326.88 g/mol
LogP0.66
Rot. Bonds5

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride

1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride (PubChem CID 120902111) has the molecular formula C10H19ClN4O2S2 and a molecular weight of 326.88 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride
PubChem CID120902111
Molecular FormulaC10H19ClN4O2S2
Molecular Weight326.88 g/mol
Exact Mass326.06
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride
SMILESCCNS(=O)(=O)C1CCN(Cc2cnc(N)s2)C1.Cl
InChIInChI=1S/C10H18N4O2S2.ClH/c1-2-13-18(15,16)9-3-4-14(7-9)6-8-5-12-10(11)17-8;/h5,9,13H,2-4,6-7H2,1H3,(H2,11,12);1H
InChIKeyHANQVEFFHPTHIR-UHFFFAOYSA-N
XLogP0.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.88
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride (CID 120902111) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride is CCNS(=O)(=O)C1CCN(Cc2cnc(N)s2)C1.Cl.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride?
The InChIKey is HANQVEFFHPTHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2.ClH/c1-2-13-18(15,16)9-3-4-14(7-9)6-8-5-12-10(11)17-8;/h5,9,13H,2-4,6-7H2,1H3,(H2,11,12);1H.
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride has a molecular weight of 326.88 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120902111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).