N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide

C8H17NO3S2 — CID 143656831

IUPACN-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCCSC(C)C
InChIInChI=1S/C8H17NO3S2/c1-7(2)13-5-4-6-14(11,12)9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyOCPMWSHQQJOVGU-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.98
Rot. Bonds6

About N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide

N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide (PubChem CID 143656831) has the molecular formula C8H17NO3S2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide
PubChem CID143656831
Molecular FormulaC8H17NO3S2
Molecular Weight239.36 g/mol
Exact Mass239.06
IUPAC NameN-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCCSC(C)C
InChIInChI=1S/C8H17NO3S2/c1-7(2)13-5-4-6-14(11,12)9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyOCPMWSHQQJOVGU-UHFFFAOYSA-N
XLogP0.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropylsulfonyl)acetamide
CID 154090839
N-nonylsulfonylacetamide
CID 87711188
4-propan-2-ylsulfanylbutanehydrazide
CID 63581042
2-propan-2-ylsulfanylethanesulfonamide
CID 130505725
8-propan-2-ylsulfanyloctanoic acid
CID 18796036
N-propan-2-ylsulfonylacetamide
CID 18730103
2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
CID 176788202
1-propan-2-ylsulfanyl-3-(3-propan-2-ylsulfanylpropylsulfanyl)propane
CID 15793667
N-butylsulfonylhexadecanamide
CID 58954596
N-pentylsulfonylundecanamide
CID 87719410
N-butylsulfonylprop-2-enamide
CID 130339621
4-propan-2-ylsulfanylbutanal
CID 175545275

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide?
The IUPAC name of N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide (CID 143656831) is N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide.
What is the SMILES notation for N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide?
The canonical SMILES for N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide is CC(=O)NS(=O)(=O)CCCSC(C)C.
What is the InChIKey of N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide?
The InChIKey is OCPMWSHQQJOVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S2/c1-7(2)13-5-4-6-14(11,12)9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide?
N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylsulfanylpropylsulfonyl)acetamide is sourced from PubChem (CID 143656831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).