1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine

C7H19N3O3S — CID 114816081

IUPAC1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
SMILESCCC(N)CNS(=O)(=O)NCCOC
InChIInChI=1S/C7H19N3O3S/c1-3-7(8)6-10-14(11,12)9-4-5-13-2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyFBVVFCNBLUIFTF-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.21
Rot. Bonds8

About 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine

1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine (PubChem CID 114816081) has the molecular formula C7H19N3O3S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
PubChem CID114816081
Molecular FormulaC7H19N3O3S
Molecular Weight225.31 g/mol
Exact Mass225.11
IUPAC Name1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
SMILESCCC(N)CNS(=O)(=O)NCCOC
InChIInChI=1S/C7H19N3O3S/c1-3-7(8)6-10-14(11,12)9-4-5-13-2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyFBVVFCNBLUIFTF-UHFFFAOYSA-N
XLogP-1.21
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
3-(2-methoxyethylsulfamoylamino)pentanethioamide
CID 114815267
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine (CID 114816081) is 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine is CCC(N)CNS(=O)(=O)NCCOC.
What is the InChIKey of 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine?
The InChIKey is FBVVFCNBLUIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3S/c1-3-7(8)6-10-14(11,12)9-4-5-13-2/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine?
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine has a molecular weight of 225.31 g/mol, XLogP of -1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114816081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).