1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C13H22N4O3S — CID 155493905

IUPAC1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCc1cnnc(N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c1C
InChIInChI=1S/C13H22N4O3S/c1-9-5-14-15-13(10(9)2)17-6-11(12(18)7-17)8-21(19,20)16(3)4/h5,11-12,18H,6-8H2,1-4H3/t11-,12+/m0/s1
InChIKeyAFQAKGACIHQJQX-NWDGAFQWSA-N
MW314.41 g/mol
LogP-0.22
Rot. Bonds4

About 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 155493905) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID155493905
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCc1cnnc(N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c1C
InChIInChI=1S/C13H22N4O3S/c1-9-5-14-15-13(10(9)2)17-6-11(12(18)7-17)8-21(19,20)16(3)4/h5,11-12,18H,6-8H2,1-4H3/t11-,12+/m0/s1
InChIKeyAFQAKGACIHQJQX-NWDGAFQWSA-N
XLogP-0.22
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide 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

[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl] methanesulfonate
CID 153569326
1-[1-(4,5-Dimethyl-3-pyridazinyl)-3-pyrrolidinyl]methanesulfonamide formate
CID 154817601
[1-(4,5-Dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide;formic acid
CID 163334166

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 155493905) is 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is Cc1cnnc(N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)c1C.
What is the InChIKey of 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is AFQAKGACIHQJQX-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9-5-14-15-13(10(9)2)17-6-11(12(18)7-17)8-21(19,20)16(3)4/h5,11-12,18H,6-8H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 314.41 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 155493905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).