ethyl 4-(dipropylsulfamoylamino)butanoate

C12H26N2O4S — CID 60751025

IUPACethyl 4-(dipropylsulfamoylamino)butanoate
SMILESCCCN(CCC)S(=O)(=O)NCCCC(=O)OCC
InChIInChI=1S/C12H26N2O4S/c1-4-10-14(11-5-2)19(16,17)13-9-7-8-12(15)18-6-3/h13H,4-11H2,1-3H3
InChIKeyYWFFMBLBMKRPCK-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.29
Rot. Bonds11

About ethyl 4-(dipropylsulfamoylamino)butanoate

ethyl 4-(dipropylsulfamoylamino)butanoate (PubChem CID 60751025) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is ethyl 4-(dipropylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(dipropylsulfamoylamino)butanoate
PubChem CID60751025
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Nameethyl 4-(dipropylsulfamoylamino)butanoate
SMILESCCCN(CCC)S(=O)(=O)NCCCC(=O)OCC
InChIInChI=1S/C12H26N2O4S/c1-4-10-14(11-5-2)19(16,17)13-9-7-8-12(15)18-6-3/h13H,4-11H2,1-3H3
InChIKeyYWFFMBLBMKRPCK-UHFFFAOYSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 263044
Ethyl 4-(ethylamino)butanoate
CID 13171987
Ethyl 4-(propylamino)butanoate
CID 53834309
Butyl 4-(butylamino)butanoate
CID 53974752
Ethyl 4-(butylamino)butanoate
CID 60684542
Butyl 4-(ethylamino)butanoate
CID 89102104
Ethane;ethyl 4-(propylamino)butanoate
CID 143941566
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
Ethyl 4-(azepan-1-ylsulfonylamino)butanoate
CID 51075371
Ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate
CID 51075372
Methyl 4-[3-[ethyl(methylsulfonyl)amino]propylamino]butanoate
CID 54903445
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dipropylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(dipropylsulfamoylamino)butanoate (CID 60751025) is ethyl 4-(dipropylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(dipropylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(dipropylsulfamoylamino)butanoate is CCCN(CCC)S(=O)(=O)NCCCC(=O)OCC.
What is the InChIKey of ethyl 4-(dipropylsulfamoylamino)butanoate?
The InChIKey is YWFFMBLBMKRPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-4-10-14(11-5-2)19(16,17)13-9-7-8-12(15)18-6-3/h13H,4-11H2,1-3H3.
What are the key properties of ethyl 4-(dipropylsulfamoylamino)butanoate?
ethyl 4-(dipropylsulfamoylamino)butanoate has a molecular weight of 294.42 g/mol, XLogP of 1.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dipropylsulfamoylamino)butanoate is sourced from PubChem (CID 60751025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).