N-tert-butylsulfonylbutanamide

C8H17NO3S — CID 89072300

IUPACN-tert-butylsulfonylbutanamide
SMILESCCCC(=O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H17NO3S/c1-5-6-7(10)9-13(11,12)8(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyUGYJYWYNIWEWFE-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.03
Rot. Bonds3

About N-tert-butylsulfonylbutanamide

N-tert-butylsulfonylbutanamide (PubChem CID 89072300) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-tert-butylsulfonylbutanamide.

Molecular Properties

Compound NameN-tert-butylsulfonylbutanamide
PubChem CID89072300
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-tert-butylsulfonylbutanamide
SMILESCCCC(=O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H17NO3S/c1-5-6-7(10)9-13(11,12)8(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyUGYJYWYNIWEWFE-UHFFFAOYSA-N
XLogP1.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonylbutanamide?
The IUPAC name of N-tert-butylsulfonylbutanamide (CID 89072300) is N-tert-butylsulfonylbutanamide.
What is the SMILES notation for N-tert-butylsulfonylbutanamide?
The canonical SMILES for N-tert-butylsulfonylbutanamide is CCCC(=O)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-tert-butylsulfonylbutanamide?
The InChIKey is UGYJYWYNIWEWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-5-6-7(10)9-13(11,12)8(2,3)4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of N-tert-butylsulfonylbutanamide?
N-tert-butylsulfonylbutanamide has a molecular weight of 207.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonylbutanamide is sourced from PubChem (CID 89072300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).