4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide

C13H20N2O2S — CID 55001042

IUPAC4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)15(9-11-3-4-11)18(16,17)13-7-5-12(14)6-8-13/h5-8,10-11H,3-4,9,14H2,1-2H3
InChIKeyZIYQXMKEEUXMMO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.08
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide

4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 55001042) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID55001042
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)15(9-11-3-4-11)18(16,17)13-7-5-12(14)6-8-13/h5-8,10-11H,3-4,9,14H2,1-2H3
InChIKeyZIYQXMKEEUXMMO-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide (CID 55001042) is 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC1CC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZIYQXMKEEUXMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)15(9-11-3-4-11)18(16,17)13-7-5-12(14)6-8-13/h5-8,10-11H,3-4,9,14H2,1-2H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide?
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55001042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).