4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine

C16H26N4O4S — CID 156606755

IUPAC4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine
SMILESCOc1cc(C(=O)N2CC(NS(=O)(=O)N(C)C)C(C(C)C)C2)ccn1
InChIInChI=1S/C16H26N4O4S/c1-11(2)13-9-20(10-14(13)18-25(22,23)19(3)4)16(21)12-6-7-17-15(8-12)24-5/h6-8,11,13-14,18H,9-10H2,1-5H3
InChIKeyUUPQWAXMYIGWRV-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.58
Rot. Bonds6

About 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine

4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine (PubChem CID 156606755) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine.

Molecular Properties

Compound Name4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine
PubChem CID156606755
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine
SMILESCOc1cc(C(=O)N2CC(NS(=O)(=O)N(C)C)C(C(C)C)C2)ccn1
InChIInChI=1S/C16H26N4O4S/c1-11(2)13-9-20(10-14(13)18-25(22,23)19(3)4)16(21)12-6-7-17-15(8-12)24-5/h6-8,11,13-14,18H,9-10H2,1-5H3
InChIKeyUUPQWAXMYIGWRV-UHFFFAOYSA-N
XLogP0.58
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine 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

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72919853
5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine
CID 72892763
2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine
CID 156604716
(3S,4R)-1-(5-acetylthiophene-2-carbonyl)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine
CID 72853893
(3S,4R)-1-(2-chloro-5-fluorobenzoyl)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine
CID 72930712
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-(quinoxaline-6-carbonyl)pyrrolidin-3-yl]urea
CID 72895371
[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methoxy-4-pyridinyl)methanone;formic acid
CID 172913168
N-[(3S,4R)-1-(1-ethyl-2-oxopyridine-4-carbonyl)-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 70722712
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine?
The IUPAC name of 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine (CID 156606755) is 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine.
What is the SMILES notation for 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine?
The canonical SMILES for 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine is COc1cc(C(=O)N2CC(NS(=O)(=O)N(C)C)C(C(C)C)C2)ccn1.
What is the InChIKey of 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine?
The InChIKey is UUPQWAXMYIGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11(2)13-9-20(10-14(13)18-25(22,23)19(3)4)16(21)12-6-7-17-15(8-12)24-5/h6-8,11,13-14,18H,9-10H2,1-5H3.
What are the key properties of 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine?
4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine has a molecular weight of 370.48 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-methoxypyridine is sourced from PubChem (CID 156606755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).