2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine

C9H23N3O2S — CID 114812909

IUPAC2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
SMILESCCCNS(=O)(=O)NCC(CC)CCN
InChIInChI=1S/C9H23N3O2S/c1-3-7-11-15(13,14)12-8-9(4-2)5-6-10/h9,11-12H,3-8,10H2,1-2H3
InChIKeyTYMHEEIWKZCMBY-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.20
Rot. Bonds9

About 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine

2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine (PubChem CID 114812909) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
PubChem CID114812909
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
SMILESCCCNS(=O)(=O)NCC(CC)CCN
InChIInChI=1S/C9H23N3O2S/c1-3-7-11-15(13,14)12-8-9(4-2)5-6-10/h9,11-12H,3-8,10H2,1-2H3
InChIKeyTYMHEEIWKZCMBY-UHFFFAOYSA-N
XLogP0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
CID 114814632
N-(4-amino-2-ethylbutyl)-1H-pyrazole-5-sulfonamide
CID 102694126
methyl 3-(2-propylpentylsulfamoylamino)propanoate
CID 25258362
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-[2-(2-aminoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106116359
6-amino-4-ethyl-N-[2-(ethylsulfamoyl)ethyl]hexanamide
CID 106337136

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine?
The IUPAC name of 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine (CID 114812909) is 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine?
The canonical SMILES for 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine is CCCNS(=O)(=O)NCC(CC)CCN.
What is the InChIKey of 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine?
The InChIKey is TYMHEEIWKZCMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-3-7-11-15(13,14)12-8-9(4-2)5-6-10/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine?
2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine is sourced from PubChem (CID 114812909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).