[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide

C14H23N3O2S — CID 62657533

IUPAC[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
SMILESCN1CCCC(CNc2ccc(CS(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-17-8-2-3-13(10-17)9-16-14-6-4-12(5-7-14)11-20(15,18)19/h4-7,13,16H,2-3,8-11H2,1H3,(H2,15,18,19)
InChIKeyGQYWKCPOAOWFRO-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.23
Rot. Bonds5

About [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide

[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 62657533) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
PubChem CID62657533
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
SMILESCN1CCCC(CNc2ccc(CS(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O2S/c1-17-8-2-3-13(10-17)9-16-14-6-4-12(5-7-14)11-20(15,18)19/h4-7,13,16H,2-3,8-11H2,1H3,(H2,15,18,19)
InChIKeyGQYWKCPOAOWFRO-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
N-[(1-methylpiperidin-3-yl)methyl]-4-pentylaniline
CID 62654693
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62654732
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-4-propylaniline
CID 79613286
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439
4-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79619930
4-amino-3-[(1-methylpiperidin-3-yl)methylamino]benzenesulfonamide
CID 82907550
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide (CID 62657533) is [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide is CN1CCCC(CNc2ccc(CS(N)(=O)=O)cc2)C1.
What is the InChIKey of [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is GQYWKCPOAOWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17-8-2-3-13(10-17)9-16-14-6-4-12(5-7-14)11-20(15,18)19/h4-7,13,16H,2-3,8-11H2,1H3,(H2,15,18,19).
What are the key properties of [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide?
[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 62657533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).