3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide

C11H16N2O2S — CID 43264620

IUPAC3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)C2CC2)c1
InChIInChI=1S/C11H16N2O2S/c1-8-5-9(12)7-11(6-8)16(14,15)13(2)10-3-4-10/h5-7,10H,3-4,12H2,1-2H3
InChIKeyCFSHOHOGEMFTTC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.36
Rot. Bonds3

About 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide

3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide (PubChem CID 43264620) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
PubChem CID43264620
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(C)C2CC2)c1
InChIInChI=1S/C11H16N2O2S/c1-8-5-9(12)7-11(6-8)16(14,15)13(2)10-3-4-10/h5-7,10H,3-4,12H2,1-2H3
InChIKeyCFSHOHOGEMFTTC-UHFFFAOYSA-N
XLogP1.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
2-amino-N,N-dimethyltoluene-4-sulphonamide
CID 235528
N-(3-(2-(methylamino)ethyl)phenyl)benzenesulfonamide
CID 11849203
N-(3-(2-(dimethylamino)ethyl)phenyl)benzenesulfonamide
CID 11849745
5-amino-N,N-diethyl-2-methylbenzene-1-sulfonamide
CID 3643281
3-(Azepane-1-sulfonyl)-4-methylaniline
CID 3726934
3-amino-N,N-diethyl-4-methylbenzene-1-sulfonamide
CID 4992115
3-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide
CID 4173422
3-amino-N,N-diethyl-4,5-dimethylbenzene-1-sulfonamide
CID 4962712
3-amino-N,N,4,5-tetramethylbenzene-1-sulfonamide
CID 4962713
2-amino-N,N-diethyl-5-methylbenzene-1-sulfonamide
CID 16226840
3-Amino-4,5-dimethylbenzene-1-sulfonamide
CID 4961879

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide (CID 43264620) is 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(C)C2CC2)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide?
The InChIKey is CFSHOHOGEMFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-5-9(12)7-11(6-8)16(14,15)13(2)10-3-4-10/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide?
3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43264620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).