N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide

C7H14N2O2S — CID 107022688

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
SMILESCNC(=O)CN(C)C(=O)CCS
InChIInChI=1S/C7H14N2O2S/c1-8-6(10)5-9(2)7(11)3-4-12/h12H,3-5H2,1-2H3,(H,8,10)
InChIKeyIOFAUJZIFHHWRC-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.49
Rot. Bonds4

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide (PubChem CID 107022688) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
PubChem CID107022688
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
SMILESCNC(=O)CN(C)C(=O)CCS
InChIInChI=1S/C7H14N2O2S/c1-8-6(10)5-9(2)7(11)3-4-12/h12H,3-5H2,1-2H3,(H,8,10)
InChIKeyIOFAUJZIFHHWRC-UHFFFAOYSA-N
XLogP-0.49
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
CID 107025957
3-amino-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 165148153
3-(ethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62833977
ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 60659458
N-methyl-3-sulfanylpropanamide
CID 642906
N,3,3-trimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 130272316
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)acetamide
CID 60672011
ethyl N-methyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 60652010
N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide
CID 164710684
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
N-(2-aminoethyl)-N-methyl-3-sulfanylpropanamide
CID 117126542
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375282

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide (CID 107022688) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide is CNC(=O)CN(C)C(=O)CCS.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide?
The InChIKey is IOFAUJZIFHHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-8-6(10)5-9(2)7(11)3-4-12/h12H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide has a molecular weight of 190.27 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 107022688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).