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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Related Compounds

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120902824
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 75500088
(3S)-N-ethyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 99782185
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[(4-propylazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772441

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).