N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide

C9H18N2O2S — CID 107024837

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
SMILESCCN(CC(=O)N(C)C)C(=O)C(C)S
InChIInChI=1S/C9H18N2O2S/c1-5-11(9(13)7(2)14)6-8(12)10(3)4/h7,14H,5-6H2,1-4H3
InChIKeyMTPMNGFYBHSMHH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.24
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide (PubChem CID 107024837) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
PubChem CID107024837
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
SMILESCCN(CC(=O)N(C)C)C(=O)C(C)S
InChIInChI=1S/C9H18N2O2S/c1-5-11(9(13)7(2)14)6-8(12)10(3)4/h7,14H,5-6H2,1-4H3
InChIKeyMTPMNGFYBHSMHH-UHFFFAOYSA-N
XLogP0.24
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-(methylamino)-N-propylpropanamide
CID 79202204
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178
2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 54948205
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2,2,3-trimethylbutanamide
CID 65264343
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide (CID 107024837) is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide is CCN(CC(=O)N(C)C)C(=O)C(C)S.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide?
The InChIKey is MTPMNGFYBHSMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-11(9(13)7(2)14)6-8(12)10(3)4/h7,14H,5-6H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide has a molecular weight of 218.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide is sourced from PubChem (CID 107024837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).