N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide

C18H36N4O4S — CID 124991806

IUPACN-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@@](O)(CN2CCC(NC(C)=O)CC2)CC1
InChIInChI=1S/C18H36N4O4S/c1-4-21(5-2)27(25,26)22-11-6-9-18(24,10-14-22)15-20-12-7-17(8-13-20)19-16(3)23/h17,24H,4-15H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyPLUWMYKRXOKKPW-SFHVURJKSA-N
MW404.58 g/mol
LogP0.39
Rot. Bonds7

About N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 124991806) has the molecular formula C18H36N4O4S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID124991806
Molecular FormulaC18H36N4O4S
Molecular Weight404.58 g/mol
Exact Mass404.25
IUPAC NameN-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@@](O)(CN2CCC(NC(C)=O)CC2)CC1
InChIInChI=1S/C18H36N4O4S/c1-4-21(5-2)27(25,26)22-11-6-9-18(24,10-14-22)15-20-12-7-17(8-13-20)19-16(3)23/h17,24H,4-15H2,1-3H3,(H,19,23)/t18-/m0/s1
InChIKeyPLUWMYKRXOKKPW-SFHVURJKSA-N
XLogP0.39
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide (CID 124991806) is N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide is CCN(CC)S(=O)(=O)N1CCC[C@@](O)(CN2CCC(NC(C)=O)CC2)CC1.
What is the InChIKey of N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is PLUWMYKRXOKKPW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H36N4O4S/c1-4-21(5-2)27(25,26)22-11-6-9-18(24,10-14-22)15-20-12-7-17(8-13-20)19-16(3)23/h17,24H,4-15H2,1-3H3,(H,19,23)/t18-/m0/s1.
What are the key properties of N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 404.58 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(4S)-1-(diethylsulfamoyl)-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124991806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).