N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide

C7H15N3O2S — CID 22826189

IUPACN-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
SMILESCNNC(=O)[C@H](CSC)NC(C)=O
InChIInChI=1S/C7H15N3O2S/c1-5(11)9-6(4-13-3)7(12)10-8-2/h6,8H,4H2,1-3H3,(H,9,11)(H,10,12)/t6-/m0/s1
InChIKeyONDBWPLSGJGFMI-LURJTMIESA-N
MW205.28 g/mol
LogP-0.90
Rot. Bonds5

About N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide

N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide (PubChem CID 22826189) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
PubChem CID22826189
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide
SMILESCNNC(=O)[C@H](CSC)NC(C)=O
InChIInChI=1S/C7H15N3O2S/c1-5(11)9-6(4-13-3)7(12)10-8-2/h6,8H,4H2,1-3H3,(H,9,11)(H,10,12)/t6-/m0/s1
InChIKeyONDBWPLSGJGFMI-LURJTMIESA-N
XLogP-0.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
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-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide (CID 22826189) is N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide is CNNC(=O)[C@H](CSC)NC(C)=O.
What is the InChIKey of N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
The InChIKey is ONDBWPLSGJGFMI-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-5(11)9-6(4-13-3)7(12)10-8-2/h6,8H,4H2,1-3H3,(H,9,11)(H,10,12)/t6-/m0/s1.
What are the key properties of N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide has a molecular weight of 205.28 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-methylhydrazinyl)-3-methylsulfanyl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 22826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).