N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide

C7H17NO2S — CID 89297002

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-6(7(2,3)4)8-11(5,9)10/h6,8H,1-5H3/t6-/m0/s1
InChIKeyNPGJVNNJQYXTJH-LURJTMIESA-N
MW179.28 g/mol
LogP0.97
Rot. Bonds2

About N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide

N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide (PubChem CID 89297002) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide
PubChem CID89297002
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C7H17NO2S/c1-6(7(2,3)4)8-11(5,9)10/h6,8H,1-5H3/t6-/m0/s1
InChIKeyNPGJVNNJQYXTJH-LURJTMIESA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide (CID 89297002) is N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide is C[C@H](NS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide?
The InChIKey is NPGJVNNJQYXTJH-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO2S/c1-6(7(2,3)4)8-11(5,9)10/h6,8H,1-5H3/t6-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide?
N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide has a molecular weight of 179.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 89297002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).