3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C22H31N3O3S — CID 16888154

IUPAC3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)cc1C
InChIInChI=1S/C22H31N3O3S/c1-3-14-28-22-8-7-21(15-18(22)2)29(26,27)24-16-19-9-12-25(13-10-19)17-20-6-4-5-11-23-20/h4-8,11,15,19,24H,3,9-10,12-14,16-17H2,1-2H3
InChIKeyJWOONKIHDOIYSO-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.37
Rot. Bonds9

About 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888154) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888154
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)cc1C
InChIInChI=1S/C22H31N3O3S/c1-3-14-28-22-8-7-21(15-18(22)2)29(26,27)24-16-19-9-12-25(13-10-19)17-20-6-4-5-11-23-20/h4-8,11,15,19,24H,3,9-10,12-14,16-17H2,1-2H3
InChIKeyJWOONKIHDOIYSO-UHFFFAOYSA-N
XLogP3.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888102
3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887576
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
2-methoxy-5-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888118
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 39626611
3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888154) is 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccn3)CC2)cc1C.
What is the InChIKey of 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is JWOONKIHDOIYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-3-14-28-22-8-7-21(15-18(22)2)29(26,27)24-16-19-9-12-25(13-10-19)17-20-6-4-5-11-23-20/h4-8,11,15,19,24H,3,9-10,12-14,16-17H2,1-2H3.
What are the key properties of 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 417.58 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).