N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide

C8H17N3O2S — CID 22826188

IUPACN-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
SMILESCNN(C)C(=O)[C@H](CSC)NC(C)=O
InChIInChI=1S/C8H17N3O2S/c1-6(12)10-7(5-14-4)8(13)11(3)9-2/h7,9H,5H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyONAOWVBLBWZOHH-ZETCQYMHSA-N
MW219.31 g/mol
LogP-0.55
Rot. Bonds5

About N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide (PubChem CID 22826188) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
PubChem CID22826188
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
SMILESCNN(C)C(=O)[C@H](CSC)NC(C)=O
InChIInChI=1S/C8H17N3O2S/c1-6(12)10-7(5-14-4)8(13)11(3)9-2/h7,9H,5H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKeyONAOWVBLBWZOHH-ZETCQYMHSA-N
XLogP-0.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide (CID 22826188) is N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide is CNN(C)C(=O)[C@H](CSC)NC(C)=O.
What is the InChIKey of N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The InChIKey is ONAOWVBLBWZOHH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-6(12)10-7(5-14-4)8(13)11(3)9-2/h7,9H,5H2,1-4H3,(H,10,12)/t7-/m0/s1.
What are the key properties of N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide has a molecular weight of 219.31 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[methyl(methylamino)amino]-3-methylsulfanyl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 22826188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).