4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

C14H23N3O2S — CID 63596613

IUPAC4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(15)12-7-9-17(10-8-12)13-3-5-14(6-4-13)20(18,19)16-2/h3-6,11-12,16H,7-10,15H2,1-2H3
InChIKeyINPRBHQPVJWNNM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.16
Rot. Bonds4

About 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide

4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 63596613) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
PubChem CID63596613
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(15)12-7-9-17(10-8-12)13-3-5-14(6-4-13)20(18,19)16-2/h3-6,11-12,16H,7-10,15H2,1-2H3
InChIKeyINPRBHQPVJWNNM-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(hydroxymethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146860
N-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63249525
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
4-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 119520096
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 59465649
4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 62067887
4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 62664693
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide (CID 63596613) is 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is INPRBHQPVJWNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(15)12-7-9-17(10-8-12)13-3-5-14(6-4-13)20(18,19)16-2/h3-6,11-12,16H,7-10,15H2,1-2H3.
What are the key properties of 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide?
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63596613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).