N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

C7H15NOS — CID 112692053

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(C)=O
InChIInChI=1S/C7H15NOS/c1-6(5-10-4)8(3)7(2)9/h6H,5H2,1-4H3
InChIKeyDHXDSPGBBNVFST-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.22
Rot. Bonds3

About N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (PubChem CID 112692053) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
PubChem CID112692053
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
SMILESCSCC(C)N(C)C(C)=O
InChIInChI=1S/C7H15NOS/c1-6(5-10-4)8(3)7(2)9/h6H,5H2,1-4H3
InChIKeyDHXDSPGBBNVFST-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxobutanoic acid
CID 112555224
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide
CID 20666056
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
2,3-dimethyl-4-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 103955096
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-propan-2-ylamino]acetic acid
CID 112662894
2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662858
N-methyl-N-(1-methylsulfanylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 112666864
bis((2R)-N,N-dimethyl-1-methylsulfanylpropan-2-amine);molecular oxygen
CID 157248032
2-carbamothioyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)butanamide
CID 112659658

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide (CID 112692053) is N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is CSCC(C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
The InChIKey is DHXDSPGBBNVFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(5-10-4)8(3)7(2)9/h6H,5H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide has a molecular weight of 161.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 112692053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).