4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide

C12H18N2O3S — CID 82900891

IUPAC4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(OCC2CC2)c1
InChIInChI=1S/C12H18N2O3S/c1-14(2)18(15,16)10-5-6-11(13)12(7-10)17-8-9-3-4-9/h5-7,9H,3-4,8,13H2,1-2H3
InChIKeyKRZGXFWBNWNIRK-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.31
Rot. Bonds5

About 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide

4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide (PubChem CID 82900891) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
PubChem CID82900891
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(OCC2CC2)c1
InChIInChI=1S/C12H18N2O3S/c1-14(2)18(15,16)10-5-6-11(13)12(7-10)17-8-9-3-4-9/h5-7,9H,3-4,8,13H2,1-2H3
InChIKeyKRZGXFWBNWNIRK-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide (CID 82900891) is 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(OCC2CC2)c1.
What is the InChIKey of 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide?
The InChIKey is KRZGXFWBNWNIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)18(15,16)10-5-6-11(13)12(7-10)17-8-9-3-4-9/h5-7,9H,3-4,8,13H2,1-2H3.
What are the key properties of 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide?
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82900891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).