3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide

C14H22N2O3S — CID 63996216

IUPAC3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-3-11(8-10-4-5-10)16-20(17,18)12-6-7-14(19-2)13(15)9-12/h6-7,9-11,16H,3-5,8,15H2,1-2H3
InChIKeyDLCIYBOQKILBKL-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.13
Rot. Bonds7

About 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide

3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 63996216) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID63996216
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-3-11(8-10-4-5-10)16-20(17,18)12-6-7-14(19-2)13(15)9-12/h6-7,9-11,16H,3-5,8,15H2,1-2H3
InChIKeyDLCIYBOQKILBKL-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-amino-4-methoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 114160385
3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
CID 106063935
3-amino-N-hex-1-yn-3-yl-4-methoxybenzenesulfonamide
CID 106223769
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide (CID 63996216) is 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is DLCIYBOQKILBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-11(8-10-4-5-10)16-20(17,18)12-6-7-14(19-2)13(15)9-12/h6-7,9-11,16H,3-5,8,15H2,1-2H3.
What are the key properties of 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide?
3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 63996216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).