2-amino-N-(2-methylbutyl)ethanesulfonamide

C7H18N2O2S — CID 22946836

IUPAC2-amino-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CNS(=O)(=O)CCN
InChIInChI=1S/C7H18N2O2S/c1-3-7(2)6-9-12(10,11)5-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeySTBJTMJQROOVCY-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.09
Rot. Bonds6

About 2-amino-N-(2-methylbutyl)ethanesulfonamide

2-amino-N-(2-methylbutyl)ethanesulfonamide (PubChem CID 22946836) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-amino-N-(2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbutyl)ethanesulfonamide
PubChem CID22946836
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2-amino-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CNS(=O)(=O)CCN
InChIInChI=1S/C7H18N2O2S/c1-3-7(2)6-9-12(10,11)5-4-8/h7,9H,3-6,8H2,1-2H3
InChIKeySTBJTMJQROOVCY-UHFFFAOYSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
N-[4-(propylsulfonylamino)butyl]propane-1-sulfonamide
CID 44434515
N-[4-(butylsulfonylamino)butyl]butane-1-sulfonamide
CID 44434527
n-butyl-N-n-propylsulfonamide
CID 19681138
2-Amino-N-butylethanesulfonamide
CID 21458645
N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide
CID 3609865
2-amino-N-(cyclobutylmethyl)ethane-1-sulfonamide
CID 43298721
N-(3-aminopropyl)-2-methylbutane-1-sulfonamide
CID 91659838
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
N-butylbutane-1-sulfonamide
CID 305460
N-(4-amino-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059739
4-Amino-3-methylbutane-1-sulfonyl fluoride
CID 165565814

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-methylbutyl)ethanesulfonamide (CID 22946836) is 2-amino-N-(2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylbutyl)ethanesulfonamide is CCC(C)CNS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2-methylbutyl)ethanesulfonamide?
The InChIKey is STBJTMJQROOVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-3-7(2)6-9-12(10,11)5-4-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-amino-N-(2-methylbutyl)ethanesulfonamide?
2-amino-N-(2-methylbutyl)ethanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 22946836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).