1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine

C15H25N3O2S — CID 43585548

IUPAC1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
SMILESCC(N)c1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-12(2)17-7-9-18(10-8-17)21(19,20)15-6-4-5-14(11-15)13(3)16/h4-6,11-13H,7-10,16H2,1-3H3
InChIKeyJJKZDSNXBKFNNT-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds4

About 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine

1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 43585548) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
PubChem CID43585548
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
SMILESCC(N)c1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C15H25N3O2S/c1-12(2)17-7-9-18(10-8-17)21(19,20)15-6-4-5-14(11-15)13(3)16/h4-6,11-13H,7-10,16H2,1-3H3
InChIKeyJJKZDSNXBKFNNT-UHFFFAOYSA-N
XLogP1.42
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
CID 43106971
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
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CID 43584968
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[3-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882423
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine (CID 43585548) is 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine is CC(N)c1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1.
What is the InChIKey of 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is JJKZDSNXBKFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)17-7-9-18(10-8-17)21(19,20)15-6-4-5-14(11-15)13(3)16/h4-6,11-13H,7-10,16H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine?
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 43585548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).