N-[(2S)-2-methylbut-3-enyl]methanesulfonamide

C6H13NO2S — CID 102236540

IUPACN-[(2S)-2-methylbut-3-enyl]methanesulfonamide
SMILESC=C[C@H](C)CNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-4-6(2)5-7-10(3,8)9/h4,6-7H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyCWWMSXWUWOMZCL-LURJTMIESA-N
MW163.24 g/mol
LogP0.36
Rot. Bonds4

About N-[(2S)-2-methylbut-3-enyl]methanesulfonamide

N-[(2S)-2-methylbut-3-enyl]methanesulfonamide (PubChem CID 102236540) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-[(2S)-2-methylbut-3-enyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-methylbut-3-enyl]methanesulfonamide
PubChem CID102236540
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-[(2S)-2-methylbut-3-enyl]methanesulfonamide
SMILESC=C[C@H](C)CNS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-4-6(2)5-7-10(3,8)9/h4,6-7H,1,5H2,2-3H3/t6-/m0/s1
InChIKeyCWWMSXWUWOMZCL-LURJTMIESA-N
XLogP0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methylbut-3-enyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-methylbut-3-enyl]methanesulfonamide (CID 102236540) is N-[(2S)-2-methylbut-3-enyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-methylbut-3-enyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-methylbut-3-enyl]methanesulfonamide is C=C[C@H](C)CNS(C)(=O)=O.
What is the InChIKey of N-[(2S)-2-methylbut-3-enyl]methanesulfonamide?
The InChIKey is CWWMSXWUWOMZCL-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-6(2)5-7-10(3,8)9/h4,6-7H,1,5H2,2-3H3/t6-/m0/s1.
What are the key properties of N-[(2S)-2-methylbut-3-enyl]methanesulfonamide?
N-[(2S)-2-methylbut-3-enyl]methanesulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methylbut-3-enyl]methanesulfonamide is sourced from PubChem (CID 102236540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).