3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide

C7H15N3O2S — CID 165386764

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
SMILESCNC(=O)C(CSCC(N)=O)NC
InChIInChI=1S/C7H15N3O2S/c1-9-5(7(12)10-2)3-13-4-6(8)11/h5,9H,3-4H2,1-2H3,(H2,8,11)(H,10,12)
InChIKeyWMGLWAFEXWVPAK-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.46
Rot. Bonds6

About 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide (PubChem CID 165386764) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
PubChem CID165386764
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
SMILESCNC(=O)C(CSCC(N)=O)NC
InChIInChI=1S/C7H15N3O2S/c1-9-5(7(12)10-2)3-13-4-6(8)11/h5,9H,3-4H2,1-2H3,(H2,8,11)(H,10,12)
InChIKeyWMGLWAFEXWVPAK-UHFFFAOYSA-N
XLogP-1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(methylamino)-3-(2-methylprop-2-enylsulfanyl)propanamide
CID 165068951
N-methyl-2-(methylamino)-3-nitrososulfanylpropanamide
CID 123221245
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
CID 130374120
N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide
CID 146243540
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
N-methyl-2-[2-[2-(methylamino)propanoylamino]propanoylamino]butanediamide
CID 142463784
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-4-amino-2-(methylamino)-4-oxobutanethioic S-acid
CID 90274310
4-hydroxy-N-methyl-2-(methylamino)butanamide
CID 15486716
N,2-dimethylpentanediamide;ethane
CID 145111022

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide (CID 165386764) is 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide is CNC(=O)C(CSCC(N)=O)NC.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide?
The InChIKey is WMGLWAFEXWVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-9-5(7(12)10-2)3-13-4-6(8)11/h5,9H,3-4H2,1-2H3,(H2,8,11)(H,10,12).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide has a molecular weight of 205.28 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 165386764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).