ethane;N-methyl-3-methylsulfanylpropanamide

C7H17NOS — CID 143646682

IUPACethane;N-methyl-3-methylsulfanylpropanamide
SMILESCC.CNC(=O)CCSC
InChIInChI=1S/C5H11NOS.C2H6/c1-6-5(7)3-4-8-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H3
InChIKeyFNYVFJKFKJZLRW-UHFFFAOYSA-N
MW163.29 g/mol
LogP1.51
Rot. Bonds3

About ethane;N-methyl-3-methylsulfanylpropanamide

ethane;N-methyl-3-methylsulfanylpropanamide (PubChem CID 143646682) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is ethane;N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound Nameethane;N-methyl-3-methylsulfanylpropanamide
PubChem CID143646682
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Nameethane;N-methyl-3-methylsulfanylpropanamide
SMILESCC.CNC(=O)CCSC
InChIInChI=1S/C5H11NOS.C2H6/c1-6-5(7)3-4-8-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H3
InChIKeyFNYVFJKFKJZLRW-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
N-methyl-3-phosphanylsulfanylpropanamide
CID 123504025
(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 28777824
3-bromo-N-methylpropanamide
CID 23033748
3-methylsulfanyl-N-propylpropanamide
CID 60637635
3-dihydroxyphosphinothioylsulfanyl-N-methylpropanamide
CID 87376124
N-(2-amino-2-oxoethyl)-3-methylsulfanylpropanamide
CID 60668278
3-ethoxysulfanyl-N-methylpropanamide
CID 175326328
N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
2-[[2-(3-methylsulfanylpropanoylamino)acetyl]amino]acetic acid
CID 43387642
N,N'-dimethylheptanediamide
CID 15166696
[[2-[3-(methylamino)-3-oxopropyl]sulfanylacetyl]amino]iodanium
CID 146747636

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-methylsulfanylpropanamide?
The IUPAC name of ethane;N-methyl-3-methylsulfanylpropanamide (CID 143646682) is ethane;N-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for ethane;N-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for ethane;N-methyl-3-methylsulfanylpropanamide is CC.CNC(=O)CCSC.
What is the InChIKey of ethane;N-methyl-3-methylsulfanylpropanamide?
The InChIKey is FNYVFJKFKJZLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.C2H6/c1-6-5(7)3-4-8-2;1-2/h3-4H2,1-2H3,(H,6,7);1-2H3.
What are the key properties of ethane;N-methyl-3-methylsulfanylpropanamide?
ethane;N-methyl-3-methylsulfanylpropanamide has a molecular weight of 163.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 143646682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).