ethyl 4-(cyclopropylsulfamoylamino)butanoate

C9H18N2O4S — CID 104538409

IUPACethyl 4-(cyclopropylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-15-9(12)4-3-7-10-16(13,14)11-8-5-6-8/h8,10-11H,2-7H2,1H3
InChIKeyQLMSFTZGCLLBJB-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.08
Rot. Bonds8

About ethyl 4-(cyclopropylsulfamoylamino)butanoate

ethyl 4-(cyclopropylsulfamoylamino)butanoate (PubChem CID 104538409) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 4-(cyclopropylsulfamoylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylsulfamoylamino)butanoate
PubChem CID104538409
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl 4-(cyclopropylsulfamoylamino)butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-15-9(12)4-3-7-10-16(13,14)11-8-5-6-8/h8,10-11H,2-7H2,1H3
InChIKeyQLMSFTZGCLLBJB-UHFFFAOYSA-N
XLogP-0.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylsulfamoylamino)butanoate?
The IUPAC name of ethyl 4-(cyclopropylsulfamoylamino)butanoate (CID 104538409) is ethyl 4-(cyclopropylsulfamoylamino)butanoate.
What is the SMILES notation for ethyl 4-(cyclopropylsulfamoylamino)butanoate?
The canonical SMILES for ethyl 4-(cyclopropylsulfamoylamino)butanoate is CCOC(=O)CCCNS(=O)(=O)NC1CC1.
What is the InChIKey of ethyl 4-(cyclopropylsulfamoylamino)butanoate?
The InChIKey is QLMSFTZGCLLBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-15-9(12)4-3-7-10-16(13,14)11-8-5-6-8/h8,10-11H,2-7H2,1H3.
What are the key properties of ethyl 4-(cyclopropylsulfamoylamino)butanoate?
ethyl 4-(cyclopropylsulfamoylamino)butanoate has a molecular weight of 250.32 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylsulfamoylamino)butanoate is sourced from PubChem (CID 104538409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).