N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride

C12H21ClN2O3S — CID 119959966

IUPACN-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCCN)ccc1OC(C)C.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-9(2)17-12-5-4-11(8-10(12)3)18(15,16)14-7-6-13;/h4-5,8-9,14H,6-7,13H2,1-3H3;1H
InChIKeyHSLURMZJBHESLH-UHFFFAOYSA-N
MW308.83 g/mol
LogP1.44
Rot. Bonds6

About N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride (PubChem CID 119959966) has the molecular formula C12H21ClN2O3S and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
PubChem CID119959966
Molecular FormulaC12H21ClN2O3S
Molecular Weight308.83 g/mol
Exact Mass308.10
IUPAC NameN-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCCN)ccc1OC(C)C.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-9(2)17-12-5-4-11(8-10(12)3)18(15,16)14-7-6-13;/h4-5,8-9,14H,6-7,13H2,1-3H3;1H
InChIKeyHSLURMZJBHESLH-UHFFFAOYSA-N
XLogP1.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
3-methyl-N-[(E)-pent-3-enyl]-4-propan-2-yloxybenzenesulfonamide
CID 113236594
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 119980611

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride (CID 119959966) is N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCCN)ccc1OC(C)C.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The InChIKey is HSLURMZJBHESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S.ClH/c1-9(2)17-12-5-4-11(8-10(12)3)18(15,16)14-7-6-13;/h4-5,8-9,14H,6-7,13H2,1-3H3;1H.
What are the key properties of N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride has a molecular weight of 308.83 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119959966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).