[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine

C10H12ClNO2S — CID 115045721

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine
SMILESNCC1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H12ClNO2S/c11-8-1-3-9(4-2-8)15(13,14)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKeyBYUMJIOAWMHGIN-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.61
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine

[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine (PubChem CID 115045721) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine
PubChem CID115045721
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine
SMILESNCC1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H12ClNO2S/c11-8-1-3-9(4-2-8)15(13,14)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKeyBYUMJIOAWMHGIN-UHFFFAOYSA-N
XLogP1.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine (CID 115045721) is [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine is NCC1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine?
The InChIKey is BYUMJIOAWMHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-8-1-3-9(4-2-8)15(13,14)10(7-12)5-6-10/h1-4H,5-7,12H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine?
[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine has a molecular weight of 245.73 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine is sourced from PubChem (CID 115045721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).