N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide

C8H20N2O2S — CID 59677732

IUPACN-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide
SMILESCN(C[C@@H](N)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-8(2,3)7(9)6-10(4)13(5,11)12/h7H,6,9H2,1-5H3/t7-/m1/s1
InChIKeyOTEYWPSVXGBGEV-SSDOTTSWSA-N
MW208.33 g/mol
LogP0.25
Rot. Bonds3

About N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide

N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide (PubChem CID 59677732) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide
PubChem CID59677732
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide
SMILESCN(C[C@@H](N)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-8(2,3)7(9)6-10(4)13(5,11)12/h7H,6,9H2,1-5H3/t7-/m1/s1
InChIKeyOTEYWPSVXGBGEV-SSDOTTSWSA-N
XLogP0.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide (CID 59677732) is N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide is CN(C[C@@H](N)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide?
The InChIKey is OTEYWPSVXGBGEV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-8(2,3)7(9)6-10(4)13(5,11)12/h7H,6,9H2,1-5H3/t7-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide?
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59677732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).