3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide

C14H23N3O2S — CID 43775785

IUPAC3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H23N3O2S/c1-11(16-13-6-8-17(2)9-7-13)12-4-3-5-14(10-12)20(15,18)19/h3-5,10-11,13,16H,6-9H2,1-2H3,(H2,15,18,19)
InChIKeyNNJKKZKASFBQKO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.08
Rot. Bonds4

About 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide

3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 43775785) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID43775785
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H23N3O2S/c1-11(16-13-6-8-17(2)9-7-13)12-4-3-5-14(10-12)20(15,18)19/h3-5,10-11,13,16H,6-9H2,1-2H3,(H2,15,18,19)
InChIKeyNNJKKZKASFBQKO-UHFFFAOYSA-N
XLogP1.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
3-[1-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]benzenesulfonamide
CID 43763469
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43775849
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide (CID 43775785) is 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide is CC(NC1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is NNJKKZKASFBQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(16-13-6-8-17(2)9-7-13)12-4-3-5-14(10-12)20(15,18)19/h3-5,10-11,13,16H,6-9H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 43775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).