2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide

C9H21N3O4S — CID 106337528

IUPAC2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H21N3O4S/c1-12(2)17(14,15)7-5-11-9(13)8(10)4-6-16-3/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyRFQJRSMUVUXPLC-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.64
Rot. Bonds8

About 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide

2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide (PubChem CID 106337528) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
PubChem CID106337528
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H21N3O4S/c1-12(2)17(14,15)7-5-11-9(13)8(10)4-6-16-3/h8H,4-7,10H2,1-3H3,(H,11,13)
InChIKeyRFQJRSMUVUXPLC-UHFFFAOYSA-N
XLogP-1.64
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide (CID 106337528) is 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide?
The InChIKey is RFQJRSMUVUXPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-12(2)17(14,15)7-5-11-9(13)8(10)4-6-16-3/h8H,4-7,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide?
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide has a molecular weight of 267.35 g/mol, XLogP of -1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 106337528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).