4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride

C14H24Cl2N2O2S — CID 139989166

IUPAC4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride
SMILESCC(C)Nc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O2S.2ClH/c1-11(2)16-12-3-5-13(6-4-12)19(17,18)14-7-9-15-10-8-14;;/h3-6,11,14-16H,7-10H2,1-2H3;2*1H
InChIKeyVKRRFCZZIQMPJA-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.88
Rot. Bonds4

About 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride

4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride (PubChem CID 139989166) has the molecular formula C14H24Cl2N2O2S and a molecular weight of 355.33 g/mol. Its IUPAC name is 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride
PubChem CID139989166
Molecular FormulaC14H24Cl2N2O2S
Molecular Weight355.33 g/mol
Exact Mass354.09
IUPAC Name4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride
SMILESCC(C)Nc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O2S.2ClH/c1-11(2)16-12-3-5-13(6-4-12)19(17,18)14-7-9-15-10-8-14;;/h3-6,11,14-16H,7-10H2,1-2H3;2*1H
InChIKeyVKRRFCZZIQMPJA-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride?
The IUPAC name of 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride (CID 139989166) is 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride.
What is the SMILES notation for 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride?
The canonical SMILES for 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride is CC(C)Nc1ccc(S(=O)(=O)C2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride?
The InChIKey is VKRRFCZZIQMPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.2ClH/c1-11(2)16-12-3-5-13(6-4-12)19(17,18)14-7-9-15-10-8-14;;/h3-6,11,14-16H,7-10H2,1-2H3;2*1H.
What are the key properties of 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride?
4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride has a molecular weight of 355.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylsulfonyl-N-propan-2-ylaniline;dihydrochloride is sourced from PubChem (CID 139989166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).