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

C9H16ClNO2S — CID 115901346

IUPACN-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Cl)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16ClNO2S/c1-7(10)6-11-8-4-3-5-9(8)14(2,12)13/h8-9,11H,1,3-6H2,2H3
InChIKeyOSDFCJDMDYCPSP-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.29
Rot. Bonds4

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

N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 115901346) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID115901346
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC NameN-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Cl)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C9H16ClNO2S/c1-7(10)6-11-8-4-3-5-9(8)14(2,12)13/h8-9,11H,1,3-6H2,2H3
InChIKeyOSDFCJDMDYCPSP-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.29
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)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine (CID 115901346) is N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine is C=C(Cl)CNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is OSDFCJDMDYCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-7(10)6-11-8-4-3-5-9(8)14(2,12)13/h8-9,11H,1,3-6H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 237.75 g/mol, XLogP of 1.29, 4 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)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 115901346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).