N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide

C17H29N3O2S — CID 146144918

IUPACN,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide
SMILESCC1CCN(c2cccc(NC(C)CS(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H29N3O2S/c1-14-8-10-20(11-9-14)17-7-5-6-16(12-17)18-15(2)13-23(21,22)19(3)4/h5-7,12,14-15,18H,8-11,13H2,1-4H3
InChIKeyUMZCWRXHLKWLLZ-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.61
Rot. Bonds6

About N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide

N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide (PubChem CID 146144918) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide
PubChem CID146144918
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide
SMILESCC1CCN(c2cccc(NC(C)CS(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H29N3O2S/c1-14-8-10-20(11-9-14)17-7-5-6-16(12-17)18-15(2)13-23(21,22)19(3)4/h5-7,12,14-15,18H,8-11,13H2,1-4H3
InChIKeyUMZCWRXHLKWLLZ-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide
CID 146104423
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352078
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(5-methylhexan-2-yl)aniline
CID 86795940
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 109397072
1-(3-fluorophenyl)-N-methyl-N-[(2S)-2-methyl-3-methylsulfonylpropyl]piperidin-4-amine
CID 97320479
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111636999
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
3-(4-methylpiperidin-1-yl)benzaldehyde
CID 84758563

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide (CID 146144918) is N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide is CC1CCN(c2cccc(NC(C)CS(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide?
The InChIKey is UMZCWRXHLKWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14-8-10-20(11-9-14)17-7-5-6-16(12-17)18-15(2)13-23(21,22)19(3)4/h5-7,12,14-15,18H,8-11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide?
N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide has a molecular weight of 339.50 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide is sourced from PubChem (CID 146144918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).