1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one

C18H21ClN2O3S — CID 46226796

IUPAC1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
SMILESNC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-15-3-1-14-12-17(4-2-13(14)11-15)25(23,24)10-7-18(22)21-8-5-16(20)6-9-21/h1-4,11-12,16H,5-10,20H2
InChIKeyWBJAZESJVZUWOQ-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.61
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one

1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one (PubChem CID 46226796) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
PubChem CID46226796
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
SMILESNC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-15-3-1-14-12-17(4-2-13(14)11-15)25(23,24)10-7-18(22)21-8-5-16(20)6-9-21/h1-4,11-12,16H,5-10,20H2
InChIKeyWBJAZESJVZUWOQ-UHFFFAOYSA-N
XLogP2.61
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one (CID 46226796) is 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one is NC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one?
The InChIKey is WBJAZESJVZUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-15-3-1-14-12-17(4-2-13(14)11-15)25(23,24)10-7-18(22)21-8-5-16(20)6-9-21/h1-4,11-12,16H,5-10,20H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one?
1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one has a molecular weight of 380.90 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one is sourced from PubChem (CID 46226796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).