N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide

C15H23N3O3S — CID 119974725

IUPACN-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-11(16)13-7-9-18(10-8-13)22(20,21)15-5-3-14(4-6-15)17-12(2)19/h3-6,11,13H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyDVAZKGOKEATHAM-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.39
Rot. Bonds4

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

N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 119974725) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID119974725
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-11(16)13-7-9-18(10-8-13)22(20,21)15-5-3-14(4-6-15)17-12(2)19/h3-6,11,13H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyDVAZKGOKEATHAM-UHFFFAOYSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
methyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate
CID 119974740
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
1-(4-acetamidophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002804
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 119974725) is N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(C)N)CC2)cc1.
What is the InChIKey of N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is DVAZKGOKEATHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(16)13-7-9-18(10-8-13)22(20,21)15-5-3-14(4-6-15)17-12(2)19/h3-6,11,13H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 119974725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).