2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide

C11H20N2O4S — CID 107769857

IUPAC2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide
SMILESCOC1(CNC(=O)C(CS)NC(C)=O)CCOC1
InChIInChI=1S/C11H20N2O4S/c1-8(14)13-9(5-18)10(15)12-6-11(16-2)3-4-17-7-11/h9,18H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyARMKRVUVGBTBHX-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.66
Rot. Bonds6

About 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide

2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide (PubChem CID 107769857) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide
PubChem CID107769857
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide
SMILESCOC1(CNC(=O)C(CS)NC(C)=O)CCOC1
InChIInChI=1S/C11H20N2O4S/c1-8(14)13-9(5-18)10(15)12-6-11(16-2)3-4-17-7-11/h9,18H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyARMKRVUVGBTBHX-UHFFFAOYSA-N
XLogP-0.66
TPSA76.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]pentanedioic acid
CID 104764209
N-[2-[(3-methoxyoxolan-3-yl)methylamino]ethyl]acetamide
CID 107529927
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]pent-4-ynoic acid
CID 113450709
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
CID 104764442

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide (CID 107769857) is 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide is COC1(CNC(=O)C(CS)NC(C)=O)CCOC1.
What is the InChIKey of 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide?
The InChIKey is ARMKRVUVGBTBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8(14)13-9(5-18)10(15)12-6-11(16-2)3-4-17-7-11/h9,18H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide?
2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide has a molecular weight of 276.36 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3-methoxyoxolan-3-yl)methyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107769857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).