N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide

C12H25N3O4S — CID 110126684

IUPACN-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@H](NC(C)=O)[C@@H](O)CC1
InChIInChI=1S/C12H25N3O4S/c1-4-14(5-2)20(18,19)15-8-6-11(13-10(3)16)12(17)7-9-15/h11-12,17H,4-9H2,1-3H3,(H,13,16)/t11-,12-/m0/s1
InChIKeyAXRSBDXCCXIFHE-RYUDHWBXSA-N
MW307.42 g/mol
LogP-0.47
Rot. Bonds5

About N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide

N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide (PubChem CID 110126684) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide
PubChem CID110126684
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC NameN-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide
SMILESCCN(CC)S(=O)(=O)N1CC[C@H](NC(C)=O)[C@@H](O)CC1
InChIInChI=1S/C12H25N3O4S/c1-4-14(5-2)20(18,19)15-8-6-11(13-10(3)16)12(17)7-9-15/h11-12,17H,4-9H2,1-3H3,(H,13,16)/t11-,12-/m0/s1
InChIKeyAXRSBDXCCXIFHE-RYUDHWBXSA-N
XLogP-0.47
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide?
The IUPAC name of N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide (CID 110126684) is N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide.
What is the SMILES notation for N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide?
The canonical SMILES for N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide is CCN(CC)S(=O)(=O)N1CC[C@H](NC(C)=O)[C@@H](O)CC1.
What is the InChIKey of N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide?
The InChIKey is AXRSBDXCCXIFHE-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-4-14(5-2)20(18,19)15-8-6-11(13-10(3)16)12(17)7-9-15/h11-12,17H,4-9H2,1-3H3,(H,13,16)/t11-,12-/m0/s1.
What are the key properties of N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide?
N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,5S)-1-(diethylsulfamoyl)-5-hydroxyazepan-4-yl]acetamide is sourced from PubChem (CID 110126684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).