4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide

C10H18N4O2S2 — CID 106086431

IUPAC4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H18N4O2S2/c1-2-11-5-8-6-12-13-10(8)18(15,16)14-9-3-4-17-7-9/h6,9,11,14H,2-5,7H2,1H3,(H,12,13)
InChIKeyJKFIQNXPNFKIFG-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.30
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106086431) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106086431
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C10H18N4O2S2/c1-2-11-5-8-6-12-13-10(8)18(15,16)14-9-3-4-17-7-9/h6,9,11,14H,2-5,7H2,1H3,(H,12,13)
InChIKeyJKFIQNXPNFKIFG-UHFFFAOYSA-N
XLogP0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068893
4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
4-(aminomethyl)-N-(thian-3-yl)-1H-pyrazole-5-sulfonamide
CID 106081474
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106075100
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
4-(ethylaminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-sulfonamide
CID 106082919
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide (CID 106086431) is 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JKFIQNXPNFKIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-2-11-5-8-6-12-13-10(8)18(15,16)14-9-3-4-17-7-9/h6,9,11,14H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106086431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).