[4-(cyclopropylmethylamino)phenyl]methanesulfonamide

C11H16N2O2S — CID 43745277

IUPAC[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCC2CC2)cc1
InChIInChI=1S/C11H16N2O2S/c12-16(14,15)8-10-3-5-11(6-4-10)13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2,(H2,12,14,15)
InChIKeyGAJRXKVKAIQMNV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.30
Rot. Bonds5

About [4-(cyclopropylmethylamino)phenyl]methanesulfonamide

[4-(cyclopropylmethylamino)phenyl]methanesulfonamide (PubChem CID 43745277) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
PubChem CID43745277
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCC2CC2)cc1
InChIInChI=1S/C11H16N2O2S/c12-16(14,15)8-10-3-5-11(6-4-10)13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2,(H2,12,14,15)
InChIKeyGAJRXKVKAIQMNV-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of [4-(cyclopropylmethylamino)phenyl]methanesulfonamide (CID 43745277) is [4-(cyclopropylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(cyclopropylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for [4-(cyclopropylmethylamino)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCC2CC2)cc1.
What is the InChIKey of [4-(cyclopropylmethylamino)phenyl]methanesulfonamide?
The InChIKey is GAJRXKVKAIQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-16(14,15)8-10-3-5-11(6-4-10)13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2,(H2,12,14,15).
What are the key properties of [4-(cyclopropylmethylamino)phenyl]methanesulfonamide?
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43745277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).