6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide

C18H32N4OS — CID 156639425

IUPAC6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide
SMILESCCCC1(C)CC(CCCNc2cccc(S(=O)NC)n2)CN1C
InChIInChI=1S/C18H32N4OS/c1-5-11-18(2)13-15(14-22(18)4)8-7-12-20-16-9-6-10-17(21-16)24(23)19-3/h6,9-10,15,19H,5,7-8,11-14H2,1-4H3,(H,20,21)
InChIKeyGQUHRSSROQDIQJ-UHFFFAOYSA-N
MW352.55 g/mol
LogP3.03
Rot. Bonds9

About 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide

6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide (PubChem CID 156639425) has the molecular formula C18H32N4OS and a molecular weight of 352.55 g/mol. Its IUPAC name is 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide.

Molecular Properties

Compound Name6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide
PubChem CID156639425
Molecular FormulaC18H32N4OS
Molecular Weight352.55 g/mol
Exact Mass352.23
IUPAC Name6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide
SMILESCCCC1(C)CC(CCCNc2cccc(S(=O)NC)n2)CN1C
InChIInChI=1S/C18H32N4OS/c1-5-11-18(2)13-15(14-22(18)4)8-7-12-20-16-9-6-10-17(21-16)24(23)19-3/h6,9-10,15,19H,5,7-8,11-14H2,1-4H3,(H,20,21)
InChIKeyGQUHRSSROQDIQJ-UHFFFAOYSA-N
XLogP3.03
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide?
The IUPAC name of 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide (CID 156639425) is 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide.
What is the SMILES notation for 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide?
The canonical SMILES for 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide is CCCC1(C)CC(CCCNc2cccc(S(=O)NC)n2)CN1C.
What is the InChIKey of 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide?
The InChIKey is GQUHRSSROQDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4OS/c1-5-11-18(2)13-15(14-22(18)4)8-7-12-20-16-9-6-10-17(21-16)24(23)19-3/h6,9-10,15,19H,5,7-8,11-14H2,1-4H3,(H,20,21).
What are the key properties of 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide?
6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide has a molecular weight of 352.55 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,5-dimethyl-5-propylpyrrolidin-3-yl)propylamino]-N-methylpyridine-2-sulfinamide is sourced from PubChem (CID 156639425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).