3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

C14H22N2O3S — CID 107407018

IUPAC3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2(CO)CC2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-10-7-12(15)11(4-2)13(8-10)20(18,19)16-14(9-17)5-6-14/h7-8,16-17H,3-6,9,15H2,1-2H3
InChIKeyNLFDFXPGLAGFPN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.20
Rot. Bonds6

About 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide

3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (PubChem CID 107407018) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
PubChem CID107407018
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC2(CO)CC2)c1
InChIInChI=1S/C14H22N2O3S/c1-3-10-7-12(15)11(4-2)13(8-10)20(18,19)16-14(9-17)5-6-14/h7-8,16-17H,3-6,9,15H2,1-2H3
InChIKeyNLFDFXPGLAGFPN-UHFFFAOYSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 107407022
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
CID 79889496
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
CID 107407059
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 107407116

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide (CID 107407018) is 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)NC2(CO)CC2)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is NLFDFXPGLAGFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-10-7-12(15)11(4-2)13(8-10)20(18,19)16-14(9-17)5-6-14/h7-8,16-17H,3-6,9,15H2,1-2H3.
What are the key properties of 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide?
3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 107407018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).