N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride

C18H27ClN2O3S — CID 119991807

IUPACN-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)c2ccccc12.Cl
InChIInChI=1S/C18H26N2O3S.ClH/c1-5-23-16-10-11-17(15-9-7-6-8-14(15)16)24(21,22)20(4)13-18(2,3)12-19;/h6-11H,5,12-13,19H2,1-4H3;1H
InChIKeyONRFLOGYUUHLQL-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.27
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 119991807) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID119991807
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)c2ccccc12.Cl
InChIInChI=1S/C18H26N2O3S.ClH/c1-5-23-16-10-11-17(15-9-7-6-8-14(15)16)24(21,22)20(4)13-18(2,3)12-19;/h6-11H,5,12-13,19H2,1-4H3;1H
InChIKeyONRFLOGYUUHLQL-UHFFFAOYSA-N
XLogP3.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712215
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethoxynaphthalene-1-sulfonamide
CID 154762748
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride (CID 119991807) is N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)N(C)CC(C)(C)CN)c2ccccc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is ONRFLOGYUUHLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S.ClH/c1-5-23-16-10-11-17(15-9-7-6-8-14(15)16)24(21,22)20(4)13-18(2,3)12-19;/h6-11H,5,12-13,19H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 386.95 g/mol, XLogP of 3.27, 7 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)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119991807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).