N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide

C16H26N2O2S — CID 52534305

IUPACN-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-4-18-11-5-6-15(12-18)17-21(19,20)16-9-7-14(8-10-16)13(2)3/h7-10,13,15,17H,4-6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyKFRHFLJKNFWORK-OAHLLOKOSA-N
MW310.46 g/mol
LogP2.57
Rot. Bonds5

About N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide

N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 52534305) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID52534305
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-4-18-11-5-6-15(12-18)17-21(19,20)16-9-7-14(8-10-16)13(2)3/h7-10,13,15,17H,4-6,11-12H2,1-3H3/t15-/m1/s1
InChIKeyKFRHFLJKNFWORK-OAHLLOKOSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide (CID 52534305) is N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide is CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is KFRHFLJKNFWORK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18-11-5-6-15(12-18)17-21(19,20)16-9-7-14(8-10-16)13(2)3/h7-10,13,15,17H,4-6,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide?
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 52534305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).