N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide

C6H12ClNO2S — CID 123601367

IUPACN-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide
SMILESC=C(CCl)CN(C)S(C)(=O)=O
InChIInChI=1S/C6H12ClNO2S/c1-6(4-7)5-8(2)11(3,9)10/h1,4-5H2,2-3H3
InChIKeyCPVLTEADLTWHKE-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.67
Rot. Bonds4

About N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide

N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide (PubChem CID 123601367) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide
PubChem CID123601367
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC NameN-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide
SMILESC=C(CCl)CN(C)S(C)(=O)=O
InChIInChI=1S/C6H12ClNO2S/c1-6(4-7)5-8(2)11(3,9)10/h1,4-5H2,2-3H3
InChIKeyCPVLTEADLTWHKE-UHFFFAOYSA-N
XLogP0.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide (CID 123601367) is N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide is C=C(CCl)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide?
The InChIKey is CPVLTEADLTWHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6(4-7)5-8(2)11(3,9)10/h1,4-5H2,2-3H3.
What are the key properties of N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide?
N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide has a molecular weight of 197.69 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)prop-2-enyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 123601367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).