ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate

C10H18N2O5S — CID 100825852

IUPACethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC
InChIInChI=1S/C10H18N2O5S/c1-3-9(13)11-7-5-18(15,16)6-8(7)12-10(14)17-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)/t7-,8-/m0/s1
InChIKeyOPRRKWOVLRKYCU-YUMQZZPRSA-N
MW278.33 g/mol
LogP-0.58
Rot. Bonds4

About ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate

ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate (PubChem CID 100825852) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
PubChem CID100825852
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Nameethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC
InChIInChI=1S/C10H18N2O5S/c1-3-9(13)11-7-5-18(15,16)6-8(7)12-10(14)17-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)/t7-,8-/m0/s1
InChIKeyOPRRKWOVLRKYCU-YUMQZZPRSA-N
XLogP-0.58
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(3R,4R)-4-methylsulfanyl-1,1-dioxothiolan-3-yl]carbamate
CID 99975796
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]propanamide
CID 41009565
N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
CID 99975528
N-[(3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-yl]propanamide
CID 133269437
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl N-(2-aminocyclopentyl)carbamate
CID 63251751
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480
ethyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 3091624
ethyl N-(4-methylthiolan-3-yl)carbamate
CID 130684389
(3S,4R)-4-(ethoxycarbonylamino)thiolane-3-carboxylic acid
CID 18653264
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 130676489

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate?
The IUPAC name of ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate (CID 100825852) is ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate is CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC.
What is the InChIKey of ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate?
The InChIKey is OPRRKWOVLRKYCU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-3-9(13)11-7-5-18(15,16)6-8(7)12-10(14)17-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)/t7-,8-/m0/s1.
What are the key properties of ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate?
ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate has a molecular weight of 278.33 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate is sourced from PubChem (CID 100825852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).