3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

C16H26N2O2S — CID 79360331

IUPAC3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-11(17)12-7-6-8-13(9-12)21(19,20)18-10-14-15(2,3)16(14,4)5/h6-9,11,14,18H,10,17H2,1-5H3
InChIKeyBZPMFEINHRGJAR-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.67
Rot. Bonds5

About 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 79360331) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID79360331
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-11(17)12-7-6-8-13(9-12)21(19,20)18-10-14-15(2,3)16(14,4)5/h6-9,11,14,18H,10,17H2,1-5H3
InChIKeyBZPMFEINHRGJAR-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-octylbenzenesulfonamide
CID 115569030
3-(1-aminoethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83143695
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-(1-aminoethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63330176
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (CID 79360331) is 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is BZPMFEINHRGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(17)12-7-6-8-13(9-12)21(19,20)18-10-14-15(2,3)16(14,4)5/h6-9,11,14,18H,10,17H2,1-5H3.
What are the key properties of 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 79360331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).