N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide

C6H12N2O3S — CID 112551095

IUPACN-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NOCC(N)=O
InChIInChI=1S/C6H12N2O3S/c1-12-3-2-6(10)8-11-4-5(7)9/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyNLVSSLBVZYJEGT-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.73
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide

N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide (PubChem CID 112551095) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
PubChem CID112551095
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC NameN-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NOCC(N)=O
InChIInChI=1S/C6H12N2O3S/c1-12-3-2-6(10)8-11-4-5(7)9/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyNLVSSLBVZYJEGT-UHFFFAOYSA-N
XLogP-0.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylsulfanylacetyl)amino]oxyacetamide
CID 112550699
N-(2-amino-2-oxoethoxy)butanamide
CID 112550491
N-(2-amino-2-oxoethoxy)pentanamide
CID 112550822
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
2-[(2-chloroacetyl)amino]oxyacetamide
CID 112673327
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
CID 60668278
4-amino-N-(2-amino-2-oxoethoxy)butanamide
CID 112674157
7-amino-N-(2-amino-2-oxoethoxy)heptanamide
CID 112674126
2-[(2-bromoacetyl)amino]oxyacetamide
CID 112673326
N-(2-amino-2-oxoethoxy)-3,3-dimethylbutanamide
CID 112550922
2-[(2-ethoxyacetyl)amino]oxyacetamide
CID 112550612
N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)sulfanylpropanamide
CID 112550573

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide (CID 112551095) is N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide is CSCCC(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide?
The InChIKey is NLVSSLBVZYJEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-12-3-2-6(10)8-11-4-5(7)9/h2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide?
N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide has a molecular weight of 192.24 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-methylsulfanylpropanamide is sourced from PubChem (CID 112551095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).