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

C15H24N2O2S — CID 79350323

IUPAC4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-14(2)13(15(14,3)4)10-17-20(18,19)12-8-6-11(16-5)7-9-12/h6-9,13,16-17H,10H2,1-5H3
InChIKeyNLFGCVBKPUWFJH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.69
Rot. Bonds5

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

4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 79350323) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID79350323
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-14(2)13(15(14,3)4)10-17-20(18,19)12-8-6-11(16-5)7-9-12/h6-9,13,16-17H,10H2,1-5H3
InChIKeyNLFGCVBKPUWFJH-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79360115
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542
4-(methylamino)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 114108588
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79360331
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (CID 79350323) is 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is CNc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1.
What is the InChIKey of 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is NLFGCVBKPUWFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-14(2)13(15(14,3)4)10-17-20(18,19)12-8-6-11(16-5)7-9-12/h6-9,13,16-17H,10H2,1-5H3.
What are the key properties of 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 79350323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).