N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide

C11H20N2O4S — CID 99975528

IUPACN-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1
InChIInChI=1S/C11H20N2O4S/c1-2-11(14)12-9-7-18(15,16)8-10(9)13-3-5-17-6-4-13/h9-10H,2-8H2,1H3,(H,12,14)/t9-,10+/m1/s1
InChIKeyJNGCRSFIQPFOEQ-ZJUUUORDSA-N
MW276.36 g/mol
LogP-0.99
Rot. Bonds3

About N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide

N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 99975528) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
PubChem CID99975528
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
SMILESCCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1
InChIInChI=1S/C11H20N2O4S/c1-2-11(14)12-9-7-18(15,16)8-10(9)13-3-5-17-6-4-13/h9-10H,2-8H2,1H3,(H,12,14)/t9-,10+/m1/s1
InChIKeyJNGCRSFIQPFOEQ-ZJUUUORDSA-N
XLogP-0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]carbamate
CID 97071959
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]propanamide
CID 41009565
ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
CID 100825852
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
CID 95302844
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 124729767
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3-methylbut-2-enamide
CID 95333224
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
CID 97216677

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide (CID 99975528) is N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide is CCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1.
What is the InChIKey of N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is JNGCRSFIQPFOEQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-2-11(14)12-9-7-18(15,16)8-10(9)13-3-5-17-6-4-13/h9-10H,2-8H2,1H3,(H,12,14)/t9-,10+/m1/s1.
What are the key properties of N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide?
N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 276.36 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 99975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).