4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide

C8H15ClN2O4S — CID 83103776

IUPAC4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1S(=O)(=O)CCl
InChIInChI=1S/C8H15ClN2O4S/c1-2-10-8(12)7-5-15-4-3-11(7)16(13,14)6-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyHGAMNHKIVITGPG-UHFFFAOYSA-N
MW270.74 g/mol
LogP-0.65
Rot. Bonds4

About 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide

4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83103776) has the molecular formula C8H15ClN2O4S and a molecular weight of 270.74 g/mol. Its IUPAC name is 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83103776
Molecular FormulaC8H15ClN2O4S
Molecular Weight270.74 g/mol
Exact Mass270.04
IUPAC Name4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1S(=O)(=O)CCl
InChIInChI=1S/C8H15ClN2O4S/c1-2-10-8(12)7-5-15-4-3-11(7)16(13,14)6-9/h7H,2-6H2,1H3,(H,10,12)
InChIKeyHGAMNHKIVITGPG-UHFFFAOYSA-N
XLogP-0.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
2-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylacetic acid
CID 83106592
4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83098838
4-[3-(propylcarbamoyl)morpholin-4-yl]sulfonylbutanoic acid
CID 83098790
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
4-[(2-amino-3-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
CID 83096793
3-[3-(methylcarbamoyl)morpholin-4-yl]sulfonylpropanoic acid
CID 83106311
4-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100771

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide (CID 83103776) is 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1S(=O)(=O)CCl.
What is the InChIKey of 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is HGAMNHKIVITGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O4S/c1-2-10-8(12)7-5-15-4-3-11(7)16(13,14)6-9/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide?
4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 270.74 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethylsulfonyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83103776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).