N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide

C17H28N2O2S — CID 75765827

IUPACN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C17H28N2O2S/c1-3-13-22(20,21)18-14-17(16-7-5-4-6-8-16)19-11-9-15(2)10-12-19/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyDOIVZHURAIPDRN-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide (PubChem CID 75765827) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
PubChem CID75765827
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C17H28N2O2S/c1-3-13-22(20,21)18-14-17(16-7-5-4-6-8-16)19-11-9-15(2)10-12-19/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyDOIVZHURAIPDRN-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
CID 47068811
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 47068814
3-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzene-1,3-disulfonamide
CID 55988368
2-chloro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)ethanesulfonamide
CID 107651678
N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
CID 63626845
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
2-methoxy-N-(2-phenyl-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110356277
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695234
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide (CID 75765827) is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1ccccc1)N1CCC(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide?
The InChIKey is DOIVZHURAIPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-3-13-22(20,21)18-14-17(16-7-5-4-6-8-16)19-11-9-15(2)10-12-19/h4-8,15,17-18H,3,9-14H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide?
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide has a molecular weight of 324.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide is sourced from PubChem (CID 75765827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).