N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide

C16H26N2O3S — CID 14022502

IUPACN-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C16H26N2O3S/c1-22(19,20)17-9-6-12-21-16-8-5-7-15(13-16)14-18-10-3-2-4-11-18/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3
InChIKeyRZQAFICDRINDFU-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.99
Rot. Bonds8

About N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide

N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide (PubChem CID 14022502) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide
PubChem CID14022502
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C16H26N2O3S/c1-22(19,20)17-9-6-12-21-16-8-5-7-15(13-16)14-18-10-3-2-4-11-18/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3
InChIKeyRZQAFICDRINDFU-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-N'-(3-(3-(piperidinomethyl)phenoxy)propyl)urea
CID 129319
Z 300
CID 124488
1-(4-(3-(Piperidin-1-yl)propoxy)benzyl)piperidin-4-yl methanesulfonate
CID 44592166
2-Methanesulfonyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10067493
1-Methyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 14514753
2-(Methylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412668
1-Oxido-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylimino]-1,2,5-thiadiazol-1-ium-3-amine
CID 136092260
3-(3-(Piperidin-1-ylmethyl)phenoxy)propan-1-amine
CID 10220561
N-(3-ethoxypropyl)-N-{3-[(4-fluorobenzyl)oxy]benzyl}amine
CID 1814805
9-[(2-Methoxyphenyl)methyl]-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
CID 3233639
2-[(2-Methoxyphenyl)methyl]-9-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 3233644
1-[3-[3-(Piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide (CID 14022502) is N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide is CS(=O)(=O)NCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide?
The InChIKey is RZQAFICDRINDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-22(19,20)17-9-6-12-21-16-8-5-7-15(13-16)14-18-10-3-2-4-11-18/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3.
What are the key properties of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide?
N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]methanesulfonamide is sourced from PubChem (CID 14022502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).