4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide

C12H23N3O4S — CID 83100303

IUPAC4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C1CS(=O)(=O)CC1N
InChIInChI=1S/C12H23N3O4S/c1-2-3-14-12(16)10-6-19-5-4-15(10)11-8-20(17,18)7-9(11)13/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyCZTTVQSNAAWHQH-UHFFFAOYSA-N
MW305.40 g/mol
LogP-1.66
Rot. Bonds4

About 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide

4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide (PubChem CID 83100303) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide
PubChem CID83100303
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C1CS(=O)(=O)CC1N
InChIInChI=1S/C12H23N3O4S/c1-2-3-14-12(16)10-6-19-5-4-15(10)11-8-20(17,18)7-9(11)13/h9-11H,2-8,13H2,1H3,(H,14,16)
InChIKeyCZTTVQSNAAWHQH-UHFFFAOYSA-N
XLogP-1.66
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-(4-aminocyclohexyl)-N-ethylmorpholine-3-carboxamide
CID 83103910
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83103248
3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
CID 114242234
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
CID 83098648
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide (CID 83100303) is 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C1CS(=O)(=O)CC1N.
What is the InChIKey of 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide?
The InChIKey is CZTTVQSNAAWHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-2-3-14-12(16)10-6-19-5-4-15(10)11-8-20(17,18)7-9(11)13/h9-11H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide?
4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of -1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,1-dioxothiolan-3-yl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83100303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).