3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide

C16H26N2O2S — CID 106063935

IUPAC3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(CC)CC2CC2)cc1CN
InChIInChI=1S/C16H26N2O2S/c1-3-13-7-8-16(10-14(13)11-17)21(19,20)18-15(4-2)9-12-5-6-12/h7-8,10,12,15,18H,3-6,9,11,17H2,1-2H3
InChIKeyFBXKQDFNLRBZAR-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.56
Rot. Bonds8

About 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide

3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide (PubChem CID 106063935) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
PubChem CID106063935
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(CC)CC2CC2)cc1CN
InChIInChI=1S/C16H26N2O2S/c1-3-13-7-8-16(10-14(13)11-17)21(19,20)18-15(4-2)9-12-5-6-12/h7-8,10,12,15,18H,3-6,9,11,17H2,1-2H3
InChIKeyFBXKQDFNLRBZAR-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 63996216
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
5-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-sulfonamide
CID 106064004
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
2-(sulfamoylamino)butylcyclopropane
CID 112690847
3-(aminomethyl)-4-chloro-5-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106032224

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide (CID 106063935) is 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC(CC)CC2CC2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide?
The InChIKey is FBXKQDFNLRBZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-13-7-8-16(10-14(13)11-17)21(19,20)18-15(4-2)9-12-5-6-12/h7-8,10,12,15,18H,3-6,9,11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide?
3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 106063935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).