N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide

C16H24N2O4S — CID 97072958

IUPACN-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccccc1OCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O4S/c1-13-6-3-4-8-15(13)22-11-9-16(19)18-10-5-7-14(12-18)17-23(2,20)21/h3-4,6,8,14,17H,5,7,9-12H2,1-2H3/t14-/m0/s1
InChIKeyLRXGPAPIHZKBSV-AWEZNQCLSA-N
MW340.44 g/mol
LogP1.30
Rot. Bonds6

About N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide

N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 97072958) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
PubChem CID97072958
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
SMILESCc1ccccc1OCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O4S/c1-13-6-3-4-8-15(13)22-11-9-16(19)18-10-5-7-14(12-18)17-23(2,20)21/h3-4,6,8,14,17H,5,7,9-12H2,1-2H3/t14-/m0/s1
InChIKeyLRXGPAPIHZKBSV-AWEZNQCLSA-N
XLogP1.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide (CID 97072958) is N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide is Cc1ccccc1OCCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1.
What is the InChIKey of N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is LRXGPAPIHZKBSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13-6-3-4-8-15(13)22-11-9-16(19)18-10-5-7-14(12-18)17-23(2,20)21/h3-4,6,8,14,17H,5,7,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide?
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 340.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 97072958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).