4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide

C18H28N2O3S — CID 10383387

IUPAC4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-19(2)24(21,22)18-7-5-17(6-8-18)23-14-16-9-11-20(12-10-16)13-15-3-4-15/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyZSAYIPHNUQGDHK-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.44
Rot. Bonds7

About 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide

4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 10383387) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID10383387
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2O3S/c1-19(2)24(21,22)18-7-5-17(6-8-18)23-14-16-9-11-20(12-10-16)13-15-3-4-15/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyZSAYIPHNUQGDHK-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide (CID 10383387) is 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZSAYIPHNUQGDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-19(2)24(21,22)18-7-5-17(6-8-18)23-14-16-9-11-20(12-10-16)13-15-3-4-15/h5-8,15-16H,3-4,9-14H2,1-2H3.
What are the key properties of 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide?
4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 10383387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).