N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine

C7H14ClNO2S — CID 64629597

IUPACN-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine
SMILESC=C(Cl)CNC(C)CS(C)(=O)=O
InChIInChI=1S/C7H14ClNO2S/c1-6(8)4-9-7(2)5-12(3,10)11/h7,9H,1,4-5H2,2-3H3
InChIKeyLRILMYNICIUCQP-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.76
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine

N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine (PubChem CID 64629597) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine
PubChem CID64629597
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC NameN-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine
SMILESC=C(Cl)CNC(C)CS(C)(=O)=O
InChIInChI=1S/C7H14ClNO2S/c1-6(8)4-9-7(2)5-12(3,10)11/h7,9H,1,4-5H2,2-3H3
InChIKeyLRILMYNICIUCQP-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine (CID 64629597) is N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine is C=C(Cl)CNC(C)CS(C)(=O)=O.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine?
The InChIKey is LRILMYNICIUCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-6(8)4-9-7(2)5-12(3,10)11/h7,9H,1,4-5H2,2-3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine?
N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine has a molecular weight of 211.71 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).