3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide

C19H32N2O3S — CID 16887576

IUPAC3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C19H32N2O3S/c1-5-12-24-19-7-6-18(13-16(19)4)25(22,23)20-14-17-8-10-21(11-9-17)15(2)3/h6-7,13,15,17,20H,5,8-12,14H2,1-4H3
InChIKeyYZGVKOVVEHREHR-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.18
Rot. Bonds8

About 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide

3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide (PubChem CID 16887576) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
PubChem CID16887576
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C19H32N2O3S/c1-5-12-24-19-7-6-18(13-16(19)4)25(22,23)20-14-17-8-10-21(11-9-17)15(2)3/h6-7,13,15,17,20H,5,8-12,14H2,1-4H3
InChIKeyYZGVKOVVEHREHR-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide 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

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16887535
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90498901
4-nitro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887533
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
4-ethoxy-3-methyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95126815
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 16644771
5-chloro-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887571

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide (CID 16887576) is 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
The InChIKey is YZGVKOVVEHREHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-5-12-24-19-7-6-18(13-16(19)4)25(22,23)20-14-17-8-10-21(11-9-17)15(2)3/h6-7,13,15,17,20H,5,8-12,14H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide?
3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide has a molecular weight of 368.54 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide is sourced from PubChem (CID 16887576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).