N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide

C10H18N2O5S — CID 87929605

IUPACN-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide
SMILESO=CCCS(=O)(=O)CCNC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O5S/c13-5-1-8-18(15,16)9-2-11-10(14)12-3-6-17-7-4-12/h5H,1-4,6-9H2,(H,11,14)
InChIKeyMBOYZTMPOGJGAA-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.97
Rot. Bonds6

About N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide

N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide (PubChem CID 87929605) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide
PubChem CID87929605
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC NameN-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide
SMILESO=CCCS(=O)(=O)CCNC(=O)N1CCOCC1
InChIInChI=1S/C10H18N2O5S/c13-5-1-8-18(15,16)9-2-11-10(14)12-3-6-17-7-4-12/h5H,1-4,6-9H2,(H,11,14)
InChIKeyMBOYZTMPOGJGAA-UHFFFAOYSA-N
XLogP-0.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide (CID 87929605) is N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide is O=CCCS(=O)(=O)CCNC(=O)N1CCOCC1.
What is the InChIKey of N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide?
The InChIKey is MBOYZTMPOGJGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c13-5-1-8-18(15,16)9-2-11-10(14)12-3-6-17-7-4-12/h5H,1-4,6-9H2,(H,11,14).
What are the key properties of N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide?
N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide has a molecular weight of 278.33 g/mol, XLogP of -0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxopropylsulfonyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 87929605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).