N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide

C19H30N2O3S — CID 121109573

IUPACN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H30N2O3S/c22-25(23,15-10-17-4-2-1-3-5-17)20-16-18-6-11-21(12-7-18)19-8-13-24-14-9-19/h1-5,18-20H,6-16H2
InChIKeyRSTSUVFSTGDEGX-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.04
Rot. Bonds7

About N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide (PubChem CID 121109573) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
PubChem CID121109573
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H30N2O3S/c22-25(23,15-10-17-4-2-1-3-5-17)20-16-18-6-11-21(12-7-18)19-8-13-24-14-9-19/h1-5,18-20H,6-16H2
InChIKeyRSTSUVFSTGDEGX-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxan-4-yl)azetidin-3-yl]-2-phenylethanesulfonamide
CID 146080238
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]butane-1-sulfonamide
CID 121109559
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 91813049
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 110413703
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide (CID 121109573) is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
The InChIKey is RSTSUVFSTGDEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c22-25(23,15-10-17-4-2-1-3-5-17)20-16-18-6-11-21(12-7-18)19-8-13-24-14-9-19/h1-5,18-20H,6-16H2.
What are the key properties of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide?
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 121109573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).