N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

C17H26N2O3S — CID 78777244

IUPACN,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-18(5-2)17(20)15-8-10-16(11-9-15)23(21,22)19-12-6-7-14(3)13-19/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyDWIHAALHWPQLPJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.59
Rot. Bonds5

About N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 78777244) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID78777244
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O3S/c1-4-18(5-2)17(20)15-8-10-16(11-9-15)23(21,22)19-12-6-7-14(3)13-19/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyDWIHAALHWPQLPJ-UHFFFAOYSA-N
XLogP2.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 78777244) is N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is DWIHAALHWPQLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-18(5-2)17(20)15-8-10-16(11-9-15)23(21,22)19-12-6-7-14(3)13-19/h8-11,14H,4-7,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 338.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 78777244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).