4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine

C14H25N5O3S — CID 70767788

IUPAC4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
SMILESCCN(CC)S(=O)(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H25N5O3S/c1-4-19(5-2)23(21,22)16-9-12-6-7-18(11-12)13-8-14(20)17(3)15-10-13/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKeyHHEVEPZZRDBPLN-UHFFFAOYSA-N
MW343.45 g/mol
LogP-0.22
Rot. Bonds7

About 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine

4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine (PubChem CID 70767788) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine.

Molecular Properties

Compound Name4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
PubChem CID70767788
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
SMILESCCN(CC)S(=O)(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C14H25N5O3S/c1-4-19(5-2)23(21,22)16-9-12-6-7-18(11-12)13-8-14(20)17(3)15-10-13/h8,10,12,16H,4-7,9,11H2,1-3H3
InChIKeyHHEVEPZZRDBPLN-UHFFFAOYSA-N
XLogP-0.22
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine 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-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
1,1,1-trifluoro-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 45191688
5-[3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(ethylthio)ethyl]pyridazin-3(2H)-one
CID 45220667
5-(4-methyl-1,4-diazepan-1-yl)-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-one
CID 29022847
5-(4-methyl-1,4-diazepan-1-yl)-2-(3-pyrrolidinylmethyl)-3(2H)-pyridazinone
CID 45241456
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
2-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropyl-N-methylacetamide
CID 56915838
N~2~-ethyl-N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70704758

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
The IUPAC name of 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine (CID 70767788) is 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine.
What is the SMILES notation for 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
The canonical SMILES for 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine is CCN(CC)S(=O)(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
The InChIKey is HHEVEPZZRDBPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-4-19(5-2)23(21,22)16-9-12-6-7-18(11-12)13-8-14(20)17(3)15-10-13/h8,10,12,16H,4-7,9,11H2,1-3H3.
What are the key properties of 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine?
4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine has a molecular weight of 343.45 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(diethylsulfamoylamino)methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine is sourced from PubChem (CID 70767788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).