2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide

C19H25N3O3S — CID 126653178

IUPAC2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(CCOc1ccccc1)CCN1CCN(c2ccncc2)S1(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-17(10-16-25-19-5-3-2-4-6-19)9-13-21-14-15-22(26(21,23)24)18-7-11-20-12-8-18/h2-8,11-12,17H,9-10,13-16H2,1H3
InChIKeyIFQFHGNPVNDYDS-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.94
Rot. Bonds8

About 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide

2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 126653178) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID126653178
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCC(CCOc1ccccc1)CCN1CCN(c2ccncc2)S1(=O)=O
InChIInChI=1S/C19H25N3O3S/c1-17(10-16-25-19-5-3-2-4-6-19)9-13-21-14-15-22(26(21,23)24)18-7-11-20-12-8-18/h2-8,11-12,17H,9-10,13-16H2,1H3
InChIKeyIFQFHGNPVNDYDS-UHFFFAOYSA-N
XLogP2.94
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide with MolForge

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Related Compounds

4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491931
2-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 118491918
4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]-3-methylpentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118492171
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-4-phenoxybutan-1-one
CID 120808139
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate
CID 18918214
4-[5-[5-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491892
ethyl 4-[2-[2-[5-(2-amino-4-pyridinyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethoxy]ethoxy]benzenecarboximidate
CID 140777161
4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
(3R)-3-methyl-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124691378
(3S)-3-methyl-1-[(2S)-2-methyl-4-phenoxybutanoyl]pyrrolidine-3-carboxylic acid
CID 124693554

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 126653178) is 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide is CC(CCOc1ccccc1)CCN1CCN(c2ccncc2)S1(=O)=O.
What is the InChIKey of 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is IFQFHGNPVNDYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-17(10-16-25-19-5-3-2-4-6-19)9-13-21-14-15-22(26(21,23)24)18-7-11-20-12-8-18/h2-8,11-12,17H,9-10,13-16H2,1H3.
What are the key properties of 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide?
2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 375.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenoxypentyl)-5-pyridin-4-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 126653178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).