N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide

C8H17NOS — CID 129049376

IUPACN-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
SMILESCC(=O)N(C)C(S)CC(C)C
InChIInChI=1S/C8H17NOS/c1-6(2)5-8(11)9(4)7(3)10/h6,8,11H,5H2,1-4H3
InChIKeyWTCVTVWWXVHQAM-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide

N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide (PubChem CID 129049376) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
PubChem CID129049376
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
SMILESCC(=O)N(C)C(S)CC(C)C
InChIInChI=1S/C8H17NOS/c1-6(2)5-8(11)9(4)7(3)10/h6,8,11H,5H2,1-4H3
InChIKeyWTCVTVWWXVHQAM-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
2-[acetyl(methyl)amino]-N-(4-methylpentan-2-yl)propanamide;methane
CID 160730867
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
(2S)-2-[acetyl(methyl)amino]-4-methyl-N-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]pentanamide
CID 173330890
N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide
CID 20666056
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide?
The IUPAC name of N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide (CID 129049376) is N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide?
The canonical SMILES for N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide is CC(=O)N(C)C(S)CC(C)C.
What is the InChIKey of N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide?
The InChIKey is WTCVTVWWXVHQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)5-8(11)9(4)7(3)10/h6,8,11H,5H2,1-4H3.
What are the key properties of N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide?
N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide has a molecular weight of 175.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide is sourced from PubChem (CID 129049376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).