N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide

C11H20N4O4S2 — CID 106059803

IUPACN-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H20N4O4S2/c1-12-4-2-5-15-8-11(7-13-15)21(18,19)14-10-3-6-20(16,17)9-10/h7-8,10,12,14H,2-6,9H2,1H3
InChIKeyYKSMKQVHCCTJAV-UHFFFAOYSA-N
MW336.44 g/mol
LogP-1.04
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide

N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide (PubChem CID 106059803) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
PubChem CID106059803
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
SMILESCNCCCn1cc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C11H20N4O4S2/c1-12-4-2-5-15-8-11(7-13-15)21(18,19)14-10-3-6-20(16,17)9-10/h7-8,10,12,14H,2-6,9H2,1H3
InChIKeyYKSMKQVHCCTJAV-UHFFFAOYSA-N
XLogP-1.04
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 114142410
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106075167
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
1-[3-(methylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075263
1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106094798
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
N-(2,3-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106060298

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide (CID 106059803) is N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide is CNCCCn1cc(S(=O)(=O)NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
The InChIKey is YKSMKQVHCCTJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-12-4-2-5-15-8-11(7-13-15)21(18,19)14-10-3-6-20(16,17)9-10/h7-8,10,12,14H,2-6,9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of -1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106059803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).