4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide

C9H16N4O2S2 — CID 106081474

IUPAC4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)NC1CCCSC1
InChIInChI=1S/C9H16N4O2S2/c10-4-7-5-11-12-9(7)17(14,15)13-8-2-1-3-16-6-8/h5,8,13H,1-4,6,10H2,(H,11,12)
InChIKeyMBWYZRCZBCRRQV-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.04
Rot. Bonds4

About 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106081474) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106081474
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)NC1CCCSC1
InChIInChI=1S/C9H16N4O2S2/c10-4-7-5-11-12-9(7)17(14,15)13-8-2-1-3-16-6-8/h5,8,13H,1-4,6,10H2,(H,11,12)
InChIKeyMBWYZRCZBCRRQV-UHFFFAOYSA-N
XLogP0.04
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-5-sulfonamide
CID 106087849
4-(aminomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106077357
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106076683
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106091522
3-(aminomethyl)-5-chloro-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081545
N-(thian-3-yl)benzenesulfonamide
CID 115675274
4-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 106018506
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081605
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
4-(3-aminopropoxy)-N-(thian-3-yl)benzenesulfonamide
CID 106081382

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide (CID 106081474) is 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide is NCc1cn[nH]c1S(=O)(=O)NC1CCCSC1.
What is the InChIKey of 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is MBWYZRCZBCRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c10-4-7-5-11-12-9(7)17(14,15)13-8-2-1-3-16-6-8/h5,8,13H,1-4,6,10H2,(H,11,12).
What are the key properties of 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106081474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).