N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide

C9H18N4O2S2 — CID 103359211

IUPACN-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1cc(N)ns1)S(C)(=O)=O
InChIInChI=1S/C9H18N4O2S2/c1-3-13(17(2,14)15)6-4-5-11-9-7-8(10)12-16-9/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeySUNPDCYQDBMESA-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.81
Rot. Bonds7

About N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide

N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 103359211) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
PubChem CID103359211
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC NameN-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1cc(N)ns1)S(C)(=O)=O
InChIInChI=1S/C9H18N4O2S2/c1-3-13(17(2,14)15)6-4-5-11-9-7-8(10)12-16-9/h7,11H,3-6H2,1-2H3,(H2,10,12)
InChIKeySUNPDCYQDBMESA-UHFFFAOYSA-N
XLogP0.81
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-methylsulfonylethyl)-1,2-thiazole-3,5-diamine
CID 103364233
5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361037
2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpropanamide;hydrochloride
CID 119299946
N-[3-(4-acetylanilino)propyl]-N-ethylmethanesulfonamide
CID 115587023
5-N-(3,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365523
5-(2,2-dimethylhydrazinyl)-1,2-thiazol-3-amine
CID 103364841
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 55112617
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
N-[3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105362475
N-ethyl-N-[3-[(4-methylquinolin-2-yl)amino]propyl]methanesulfonamide
CID 60521104

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide (CID 103359211) is N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNc1cc(N)ns1)S(C)(=O)=O.
What is the InChIKey of N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is SUNPDCYQDBMESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-3-13(17(2,14)15)6-4-5-11-9-7-8(10)12-16-9/h7,11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-1,2-thiazol-5-yl)amino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 103359211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).