3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide

C14H20N2O2S — CID 61482582

IUPAC3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H20N2O2S/c15-9-10-2-1-3-13(8-10)19(17,18)16-14(11-4-5-11)12-6-7-12/h1-3,8,11-12,14,16H,4-7,9,15H2
InChIKeyHUYVFFNFIQIMBK-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.61
Rot. Bonds6

About 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide

3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide (PubChem CID 61482582) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
PubChem CID61482582
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H20N2O2S/c15-9-10-2-1-3-13(8-10)19(17,18)16-14(11-4-5-11)12-6-7-12/h1-3,8,11-12,14,16H,4-7,9,15H2
InChIKeyHUYVFFNFIQIMBK-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
3-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631807
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106090779
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
CID 61481014
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide (CID 61482582) is 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide is NCc1cccc(S(=O)(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide?
The InChIKey is HUYVFFNFIQIMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c15-9-10-2-1-3-13(8-10)19(17,18)16-14(11-4-5-11)12-6-7-12/h1-3,8,11-12,14,16H,4-7,9,15H2.
What are the key properties of 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide?
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 61482582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).