N-[2-(methanesulfonamido)-2-methylpropyl]butanamide

C9H20N2O3S — CID 63902707

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-5-6-8(12)10-7-9(2,3)11-15(4,13)14/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyQEEFNIULTZLCLI-UHFFFAOYSA-N
MW236.34 g/mol
LogP0.23
Rot. Bonds6

About N-[2-(methanesulfonamido)-2-methylpropyl]butanamide

N-[2-(methanesulfonamido)-2-methylpropyl]butanamide (PubChem CID 63902707) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]butanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]butanamide
PubChem CID63902707
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-5-6-8(12)10-7-9(2,3)11-15(4,13)14/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyQEEFNIULTZLCLI-UHFFFAOYSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]butanamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]butanamide (CID 63902707) is N-[2-(methanesulfonamido)-2-methylpropyl]butanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]butanamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]butanamide is CCCC(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]butanamide?
The InChIKey is QEEFNIULTZLCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-5-6-8(12)10-7-9(2,3)11-15(4,13)14/h11H,5-7H2,1-4H3,(H,10,12).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]butanamide?
N-[2-(methanesulfonamido)-2-methylpropyl]butanamide has a molecular weight of 236.34 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]butanamide is sourced from PubChem (CID 63902707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).