N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide

C16H26N2O3S — CID 166824772

IUPACN-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cccc(S(=O)(=O)NC2CCCN(C(C)O)C2)c1
InChIInChI=1S/C16H26N2O3S/c1-12(2)14-6-4-8-16(10-14)22(20,21)17-15-7-5-9-18(11-15)13(3)19/h4,6,8,10,12-13,15,17,19H,5,7,9,11H2,1-3H3
InChIKeyJOPAYDBRLGHHOX-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.89
Rot. Bonds5

About N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide

N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 166824772) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide
PubChem CID166824772
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cccc(S(=O)(=O)NC2CCCN(C(C)O)C2)c1
InChIInChI=1S/C16H26N2O3S/c1-12(2)14-6-4-8-16(10-14)22(20,21)17-15-7-5-9-18(11-15)13(3)19/h4,6,8,10,12-13,15,17,19H,5,7,9,11H2,1-3H3
InChIKeyJOPAYDBRLGHHOX-UHFFFAOYSA-N
XLogP1.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide (CID 166824772) is N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide is CC(C)c1cccc(S(=O)(=O)NC2CCCN(C(C)O)C2)c1.
What is the InChIKey of N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is JOPAYDBRLGHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)14-6-4-8-16(10-14)22(20,21)17-15-7-5-9-18(11-15)13(3)19/h4,6,8,10,12-13,15,17,19H,5,7,9,11H2,1-3H3.
What are the key properties of N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide?
N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 166824772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).