N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C18H29N3O3S — CID 109059596

IUPACN-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-15-9-13-21(14-10-15)18(22)16-5-7-17(8-6-16)25(23,24)19-11-4-12-20(2)3/h5-8,15,19H,4,9-14H2,1-3H3
InChIKeyCPPMAQGUQLZKGJ-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.79
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059596) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109059596
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)CC1
InChIInChI=1S/C18H29N3O3S/c1-15-9-13-21(14-10-15)18(22)16-5-7-17(8-6-16)25(23,24)19-11-4-12-20(2)3/h5-8,15,19H,4,9-14H2,1-3H3
InChIKeyCPPMAQGUQLZKGJ-UHFFFAOYSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059405
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250651
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 146087240
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109059596) is N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCN(C(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CPPMAQGUQLZKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-15-9-13-21(14-10-15)18(22)16-5-7-17(8-6-16)25(23,24)19-11-4-12-20(2)3/h5-8,15,19H,4,9-14H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).