N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide

C9H16N4O2S2 — CID 113234769

IUPACN-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCN1CCSCC1)c1cn[nH]c1
InChIInChI=1S/C9H16N4O2S2/c14-17(15,9-7-10-11-8-9)12-1-2-13-3-5-16-6-4-13/h7-8,12H,1-6H2,(H,10,11)
InChIKeyPXWXYUDPGRQGBK-UHFFFAOYSA-N
MW276.39 g/mol
LogP-0.26
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide

N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 113234769) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID113234769
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC NameN-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCN1CCSCC1)c1cn[nH]c1
InChIInChI=1S/C9H16N4O2S2/c14-17(15,9-7-10-11-8-9)12-1-2-13-3-5-16-6-4-13/h7-8,12H,1-6H2,(H,10,11)
InChIKeyPXWXYUDPGRQGBK-UHFFFAOYSA-N
XLogP-0.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327319
4-hydrazinyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106325962
6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-sulfonamide
CID 106327013
5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106327409
N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 125444048
N-[(1-propylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 122567194
3-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327412
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
3-amino-4-bromo-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324544
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106385116
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide (CID 113234769) is N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCN1CCSCC1)c1cn[nH]c1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PXWXYUDPGRQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c14-17(15,9-7-10-11-8-9)12-1-2-13-3-5-16-6-4-13/h7-8,12H,1-6H2,(H,10,11).
What are the key properties of N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113234769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).