N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide

C8H13NO3S — CID 21339517

IUPACN-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CNC(=O)CSCC(C)=O
InChIInChI=1S/C8H13NO3S/c1-6(10)3-9-8(12)5-13-4-7(2)11/h3-5H2,1-2H3,(H,9,12)
InChIKeyCORGQXQQFBMBPT-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.01
Rot. Bonds6

About N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide

N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide (PubChem CID 21339517) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
PubChem CID21339517
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide
SMILESCC(=O)CNC(=O)CSCC(C)=O
InChIInChI=1S/C8H13NO3S/c1-6(10)3-9-8(12)5-13-4-7(2)11/h3-5H2,1-2H3,(H,9,12)
InChIKeyCORGQXQQFBMBPT-UHFFFAOYSA-N
XLogP0.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,8-dioxo-N-[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]-9-[[2-[[2-[[2-(2-oxopropylsulfanyl)acetyl]amino]acetyl]amino]acetyl]amino]nonanamide
CID 130368088
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660
2-[2-(2-methylprop-2-enylamino)-2-oxoethyl]sulfanylacetic acid
CID 114615305
N-(2-oxopropyl)propanamide
CID 23550155
2-fluoro-N-(2-oxopropyl)acetamide
CID 171093326
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
2-methylsulfonyl-N-(2-oxopropyl)acetamide
CID 64996729
N-[2-[3-aminopropyl(hydroxy)amino]ethyl]-2-(2-oxopropylsulfanyl)acetamide
CID 153346647
2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573216
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-(2-oxopropylsulfanyl)acetamide
CID 153346651
2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618404
2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618631

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide?
The IUPAC name of N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide (CID 21339517) is N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide.
What is the SMILES notation for N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide?
The canonical SMILES for N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide is CC(=O)CNC(=O)CSCC(C)=O.
What is the InChIKey of N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide?
The InChIKey is CORGQXQQFBMBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-6(10)3-9-8(12)5-13-4-7(2)11/h3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide?
N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide has a molecular weight of 203.26 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)-2-(2-oxopropylsulfanyl)acetamide is sourced from PubChem (CID 21339517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).