N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide

C16H25N3O3S — CID 120609023

IUPACN-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CCc1ccccc1N
InChIInChI=1S/C16H25N3O3S/c1-23(21,22)18-12-14-7-4-5-11-19(14)16(20)10-9-13-6-2-3-8-15(13)17/h2-3,6,8,14,18H,4-5,7,9-12,17H2,1H3
InChIKeySGFUNBXQHJVWGT-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.13
Rot. Bonds6

About N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 120609023) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID120609023
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CCc1ccccc1N
InChIInChI=1S/C16H25N3O3S/c1-23(21,22)18-12-14-7-4-5-11-19(14)16(20)10-9-13-6-2-3-8-15(13)17/h2-3,6,8,14,18H,4-5,7,9-12,17H2,1H3
InChIKeySGFUNBXQHJVWGT-UHFFFAOYSA-N
XLogP1.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
3-(2-aminophenyl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120612623
N-[[1-[3-(4-tert-butylphenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55678133
N-[[1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073396
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 104741635
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073250
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
3-amino-N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120578219
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421333

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide (CID 120609023) is N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCCN1C(=O)CCc1ccccc1N.
What is the InChIKey of N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is SGFUNBXQHJVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-23(21,22)18-12-14-7-4-5-11-19(14)16(20)10-9-13-6-2-3-8-15(13)17/h2-3,6,8,14,18H,4-5,7,9-12,17H2,1H3.
What are the key properties of N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 120609023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).