1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide

C10H18N4O2S2 — CID 114142410

IUPAC1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC2CCSC2)cn1
InChIInChI=1S/C10H18N4O2S2/c1-11-3-4-14-7-10(6-12-14)18(15,16)13-9-2-5-17-8-9/h6-7,9,11,13H,2-5,8H2,1H3
InChIKeyUUMACNKTXBQFKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP-0.11
Rot. Bonds6

About 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide

1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 114142410) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
PubChem CID114142410
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC2CCSC2)cn1
InChIInChI=1S/C10H18N4O2S2/c1-11-3-4-14-7-10(6-12-14)18(15,16)13-9-2-5-17-8-9/h6-7,9,11,13H,2-5,8H2,1H3
InChIKeyUUMACNKTXBQFKM-UHFFFAOYSA-N
XLogP-0.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[2-(cyclopropylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084404
N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106075167
N-(2,3-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106060298
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106059803
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
N-[2-[cyclopropyl(methyl)amino]propyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106094169
1-[2-(methylamino)ethyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028775

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide (CID 114142410) is 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NC2CCSC2)cn1.
What is the InChIKey of 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is UUMACNKTXBQFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-11-3-4-14-7-10(6-12-14)18(15,16)13-9-2-5-17-8-9/h6-7,9,11,13H,2-5,8H2,1H3.
What are the key properties of 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 114142410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).