N-(5-butylsulfonyl-3-methylpentyl)acetamide

C12H25NO3S — CID 174365296

IUPACN-(5-butylsulfonyl-3-methylpentyl)acetamide
SMILESCCCCS(=O)(=O)CCC(C)CCNC(C)=O
InChIInChI=1S/C12H25NO3S/c1-4-5-9-17(15,16)10-7-11(2)6-8-13-12(3)14/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyGDYQTWJXZVAOJE-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.75
Rot. Bonds9

About N-(5-butylsulfonyl-3-methylpentyl)acetamide

N-(5-butylsulfonyl-3-methylpentyl)acetamide (PubChem CID 174365296) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(5-butylsulfonyl-3-methylpentyl)acetamide.

Molecular Properties

Compound NameN-(5-butylsulfonyl-3-methylpentyl)acetamide
PubChem CID174365296
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(5-butylsulfonyl-3-methylpentyl)acetamide
SMILESCCCCS(=O)(=O)CCC(C)CCNC(C)=O
InChIInChI=1S/C12H25NO3S/c1-4-5-9-17(15,16)10-7-11(2)6-8-13-12(3)14/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyGDYQTWJXZVAOJE-UHFFFAOYSA-N
XLogP1.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-butylsulfonyl-3-methylpentyl)acetamide?
The IUPAC name of N-(5-butylsulfonyl-3-methylpentyl)acetamide (CID 174365296) is N-(5-butylsulfonyl-3-methylpentyl)acetamide.
What is the SMILES notation for N-(5-butylsulfonyl-3-methylpentyl)acetamide?
The canonical SMILES for N-(5-butylsulfonyl-3-methylpentyl)acetamide is CCCCS(=O)(=O)CCC(C)CCNC(C)=O.
What is the InChIKey of N-(5-butylsulfonyl-3-methylpentyl)acetamide?
The InChIKey is GDYQTWJXZVAOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-5-9-17(15,16)10-7-11(2)6-8-13-12(3)14/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of N-(5-butylsulfonyl-3-methylpentyl)acetamide?
N-(5-butylsulfonyl-3-methylpentyl)acetamide has a molecular weight of 263.40 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylsulfonyl-3-methylpentyl)acetamide is sourced from PubChem (CID 174365296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).