4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide

C15H20N2O3S — CID 82912697

IUPAC4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCC1(CC#N)CC1
InChIInChI=1S/C15H20N2O3S/c1-11(2)13-9-12(21(17,18)19)3-4-14(13)20-10-15(5-6-15)7-8-16/h3-4,9,11H,5-7,10H2,1-2H3,(H2,17,18,19)
InChIKeyYTLJYKRPXWUNBS-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.53
Rot. Bonds6

About 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide

4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide (PubChem CID 82912697) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide
PubChem CID82912697
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCC1(CC#N)CC1
InChIInChI=1S/C15H20N2O3S/c1-11(2)13-9-12(21(17,18)19)3-4-14(13)20-10-15(5-6-15)7-8-16/h3-4,9,11H,5-7,10H2,1-2H3,(H2,17,18,19)
InChIKeyYTLJYKRPXWUNBS-UHFFFAOYSA-N
XLogP2.53
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide 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

4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-fluorobenzenesulfonamide
CID 82921206
2-[1-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495310
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
CID 80695433
4-but-3-ynoxy-3-propan-2-ylbenzenesulfonamide
CID 82914375
2-[1-[[4-(1-aminoethyl)-2-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 113389720
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
CID 61057154
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
5-bromo-2-[[1-(cyanomethyl)cyclopropyl]methoxy]benzenesulfonyl chloride
CID 82910176
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492627
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 79009106
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide (CID 82912697) is 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)ccc1OCC1(CC#N)CC1.
What is the InChIKey of 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is YTLJYKRPXWUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(2)13-9-12(21(17,18)19)3-4-14(13)20-10-15(5-6-15)7-8-16/h3-4,9,11H,5-7,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide?
4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82912697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).