N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine

C14H23N3O2S — CID 43586342

IUPACN,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
SMILESCNc1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-15-12-4-6-14(7-5-12)20(18,19)17-10-8-13(9-11-17)16(2)3/h4-7,13,15H,8-11H2,1-3H3
InChIKeyMWBBSHZZISKITF-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.44
Rot. Bonds4

About N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine

N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine (PubChem CID 43586342) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
PubChem CID43586342
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
SMILESCNc1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-15-12-4-6-14(7-5-12)20(18,19)17-10-8-13(9-11-17)16(2)3/h4-7,13,15H,8-11H2,1-3H3
InChIKeyMWBBSHZZISKITF-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
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CID 63979413
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
tert-butyl N-[1-[4-(methylamino)phenyl]sulfonylpiperidin-4-yl]carbamate
CID 71060136
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 55158021
2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
CID 43585652
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
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1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine (CID 43586342) is N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine is CNc1ccc(S(=O)(=O)N2CCC(N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is MWBBSHZZISKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-15-12-4-6-14(7-5-12)20(18,19)17-10-8-13(9-11-17)16(2)3/h4-7,13,15H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine?
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 297.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 43586342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).