1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide

C9H18N4O2S2 — CID 112667312

IUPAC1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C9H18N4O2S2/c1-12(5-6-16-2)17(14,15)9-7-11-13(8-9)4-3-10/h7-8H,3-6,10H2,1-2H3
InChIKeyXTTSQPLSCSPQDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP-0.17
Rot. Bonds7

About 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide (PubChem CID 112667312) has the molecular formula C9H18N4O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
PubChem CID112667312
Molecular FormulaC9H18N4O2S2
Molecular Weight278.40 g/mol
Exact Mass278.09
IUPAC Name1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cnn(CCN)c1
InChIInChI=1S/C9H18N4O2S2/c1-12(5-6-16-2)17(14,15)9-7-11-13(8-9)4-3-10/h7-8H,3-6,10H2,1-2H3
InChIKeyXTTSQPLSCSPQDL-UHFFFAOYSA-N
XLogP-0.17
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide (CID 112667312) is 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide is CSCCN(C)S(=O)(=O)c1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
The InChIKey is XTTSQPLSCSPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S2/c1-12(5-6-16-2)17(14,15)9-7-11-13(8-9)4-3-10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 112667312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).