N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen

C9H23NOS — CID 153333339

IUPACN-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen
SMILESCC.CCCCNC(=O)CSC.[H][H]
InChIInChI=1S/C7H15NOS.C2H6.H2/c1-3-4-5-8-7(9)6-10-2;1-2;/h3-6H2,1-2H3,(H,8,9);1-2H3;1H
InChIKeyAUTJKLIWEYOJOC-UHFFFAOYSA-N
MW193.36 g/mol
LogP2.54
Rot. Bonds5

About N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen

N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen (PubChem CID 153333339) has the molecular formula C9H23NOS and a molecular weight of 193.36 g/mol. Its IUPAC name is N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen
PubChem CID153333339
Molecular FormulaC9H23NOS
Molecular Weight193.36 g/mol
Exact Mass193.15
IUPAC NameN-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen
SMILESCC.CCCCNC(=O)CSC.[H][H]
InChIInChI=1S/C7H15NOS.C2H6.H2/c1-3-4-5-8-7(9)6-10-2;1-2;/h3-6H2,1-2H3,(H,8,9);1-2H3;1H
InChIKeyAUTJKLIWEYOJOC-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromopentyl)-2-methylsulfanylacetamide
CID 107321815
N-butyl-2-octylsulfanylacetamide
CID 4583267
ethane;molecular hydrogen;N-pentyltridecanamide
CID 142045594
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
N-butyl-N'-pentylpropanediamide
CID 89202031
N-butylacetamide;molecular hydrogen
CID 142252069
2-[2-(butylamino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 79015465
N-butyl-3-oxobutanamide
CID 5161533
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-butyl-2-(diethylamino)acetamide
CID 54813643
ethane;N-undecylpropanamide
CID 155706114

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen?
The IUPAC name of N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen (CID 153333339) is N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen?
The canonical SMILES for N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen is CC.CCCCNC(=O)CSC.[H][H].
What is the InChIKey of N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen?
The InChIKey is AUTJKLIWEYOJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS.C2H6.H2/c1-3-4-5-8-7(9)6-10-2;1-2;/h3-6H2,1-2H3,(H,8,9);1-2H3;1H.
What are the key properties of N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen?
N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen has a molecular weight of 193.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylsulfanylacetamide;ethane;molecular hydrogen is sourced from PubChem (CID 153333339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).