2-(methanesulfonamidomethyl)butylazanium

C6H17N2O2S+ — CID 163419574

IUPAC2-(methanesulfonamidomethyl)butylazanium
SMILESCCC(C[NH3+])CNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-6(4-7)5-8-11(2,9)10/h6,8H,3-5,7H2,1-2H3/p+1
InChIKeyAHHJKJPOYZMBKL-UHFFFAOYSA-O
MW181.28 g/mol
LogP-1.20
Rot. Bonds5

About 2-(methanesulfonamidomethyl)butylazanium

2-(methanesulfonamidomethyl)butylazanium (PubChem CID 163419574) has the molecular formula C6H17N2O2S+ and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(methanesulfonamidomethyl)butylazanium.

Molecular Properties

Compound Name2-(methanesulfonamidomethyl)butylazanium
PubChem CID163419574
Molecular FormulaC6H17N2O2S+
Molecular Weight181.28 g/mol
Exact Mass181.10
IUPAC Name2-(methanesulfonamidomethyl)butylazanium
SMILESCCC(C[NH3+])CNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-6(4-7)5-8-11(2,9)10/h6,8H,3-5,7H2,1-2H3/p+1
InChIKeyAHHJKJPOYZMBKL-UHFFFAOYSA-O
XLogP-1.20
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamidomethyl)butylazanium?
The IUPAC name of 2-(methanesulfonamidomethyl)butylazanium (CID 163419574) is 2-(methanesulfonamidomethyl)butylazanium.
What is the SMILES notation for 2-(methanesulfonamidomethyl)butylazanium?
The canonical SMILES for 2-(methanesulfonamidomethyl)butylazanium is CCC(C[NH3+])CNS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamidomethyl)butylazanium?
The InChIKey is AHHJKJPOYZMBKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N2O2S/c1-3-6(4-7)5-8-11(2,9)10/h6,8H,3-5,7H2,1-2H3/p+1.
What are the key properties of 2-(methanesulfonamidomethyl)butylazanium?
2-(methanesulfonamidomethyl)butylazanium has a molecular weight of 181.28 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamidomethyl)butylazanium is sourced from PubChem (CID 163419574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).