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

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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).