N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide

C16H26N2O2S — CID 79360115

IUPACN-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H26N2O2S/c1-6-18-21(19,20)13-9-7-12(8-10-13)17-11-14-15(2,3)16(14,4)5/h7-10,14,17-18H,6,11H2,1-5H3
InChIKeyWRWBDBPPUISKSJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide

N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide (PubChem CID 79360115) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
PubChem CID79360115
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H26N2O2S/c1-6-18-21(19,20)13-9-7-12(8-10-13)17-11-14-15(2,3)16(14,4)5/h7-10,14,17-18H,6,11H2,1-5H3
InChIKeyWRWBDBPPUISKSJ-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350323
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-ethyl-4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82836544
N-ethyl-4-[(3-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 106128063
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide (CID 79360115) is N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC2C(C)(C)C2(C)C)cc1.
What is the InChIKey of N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
The InChIKey is WRWBDBPPUISKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-18-21(19,20)13-9-7-12(8-10-13)17-11-14-15(2,3)16(14,4)5/h7-10,14,17-18H,6,11H2,1-5H3.
What are the key properties of N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide?
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 79360115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).