N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 120711306

IUPACN-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC(CN)C2CC2)cc1C(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-10(2)13-8-16(11(3)7-15(13)21-4)22(19,20)18-14(9-17)12-5-6-12;/h7-8,10,12,14,18H,5-6,9,17H2,1-4H3;1H
InChIKeyCABPQWUITBUHEJ-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.56
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 120711306) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID120711306
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC(CN)C2CC2)cc1C(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-10(2)13-8-16(11(3)7-15(13)21-4)22(19,20)18-14(9-17)12-5-6-12;/h7-8,10,12,14,18H,5-6,9,17H2,1-4H3;1H
InChIKeyCABPQWUITBUHEJ-UHFFFAOYSA-N
XLogP2.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
CID 65188507
N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 120875335
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
N-(2-amino-2-ethylbutyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120711916
4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707629
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 84591204

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride (CID 120711306) is N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride is COc1cc(C)c(S(=O)(=O)NC(CN)C2CC2)cc1C(C)C.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is CABPQWUITBUHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-10(2)13-8-16(11(3)7-15(13)21-4)22(19,20)18-14(9-17)12-5-6-12;/h7-8,10,12,14,18H,5-6,9,17H2,1-4H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).