N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide

C11H18N2O2S — CID 107802285

IUPACN-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)C(C)C)c1CN
InChIInChI=1S/C11H18N2O2S/c1-8(2)16(14,15)13-11-6-4-5-9(3)10(11)7-12/h4-6,8,13H,7,12H2,1-3H3
InChIKeyUOAIIDBSPPKUBH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide

N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide (PubChem CID 107802285) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide
PubChem CID107802285
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)C(C)C)c1CN
InChIInChI=1S/C11H18N2O2S/c1-8(2)16(14,15)13-11-6-4-5-9(3)10(11)7-12/h4-6,8,13H,7,12H2,1-3H3
InChIKeyUOAIIDBSPPKUBH-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide (CID 107802285) is N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide is Cc1cccc(NS(=O)(=O)C(C)C)c1CN.
What is the InChIKey of N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide?
The InChIKey is UOAIIDBSPPKUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)16(14,15)13-11-6-4-5-9(3)10(11)7-12/h4-6,8,13H,7,12H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide?
N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-methylphenyl]propane-2-sulfonamide is sourced from PubChem (CID 107802285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).