N-ethenyl-N-propan-2-ylmethanesulfonamide

C6H13NO2S — CID 122678436

IUPACN-ethenyl-N-propan-2-ylmethanesulfonamide
SMILESC=CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-7(6(2)3)10(4,8)9/h5-6H,1H2,2-4H3
InChIKeyXSJUBSISBMDSHQ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.80
Rot. Bonds3

About N-ethenyl-N-propan-2-ylmethanesulfonamide

N-ethenyl-N-propan-2-ylmethanesulfonamide (PubChem CID 122678436) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethenyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethenyl-N-propan-2-ylmethanesulfonamide
PubChem CID122678436
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethenyl-N-propan-2-ylmethanesulfonamide
SMILESC=CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-7(6(2)3)10(4,8)9/h5-6H,1H2,2-4H3
InChIKeyXSJUBSISBMDSHQ-UHFFFAOYSA-N
XLogP0.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-ethenyl-N-propan-2-ylmethanesulfonamide (CID 122678436) is N-ethenyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-ethenyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-ethenyl-N-propan-2-ylmethanesulfonamide is C=CN(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethenyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is XSJUBSISBMDSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-7(6(2)3)10(4,8)9/h5-6H,1H2,2-4H3.
What are the key properties of N-ethenyl-N-propan-2-ylmethanesulfonamide?
N-ethenyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 122678436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).