N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide

C15H26N2O3S — CID 79664152

IUPACN-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C15H26N2O3S/c1-5-10-17(12-15(2,3)11-16)21(18,19)14-9-7-6-8-13(14)20-4/h6-9H,5,10-12,16H2,1-4H3
InChIKeyXPOTZZNTPNZNHF-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.08
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide (PubChem CID 79664152) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
PubChem CID79664152
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1OC
InChIInChI=1S/C15H26N2O3S/c1-5-10-17(12-15(2,3)11-16)21(18,19)14-9-7-6-8-13(14)20-4/h6-9H,5,10-12,16H2,1-4H3
InChIKeyXPOTZZNTPNZNHF-UHFFFAOYSA-N
XLogP2.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
CID 79664125
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
CID 79664112
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
1-ethylsulfonyl-2-methoxybenzene
CID 12920561

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide (CID 79664152) is N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)c1ccccc1OC.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide?
The InChIKey is XPOTZZNTPNZNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-10-17(12-15(2,3)11-16)21(18,19)14-9-7-6-8-13(14)20-4/h6-9H,5,10-12,16H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 79664152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).