2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride

C13H23ClN2O2S — CID 45110477

IUPAC2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)CCNC(C)c1ccccc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-11(2)15-18(16,17)10-9-14-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14-15H,9-10H2,1-3H3;1H
InChIKeyBBHPJUWRUZDAQW-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.09
Rot. Bonds7

About 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride

2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride (PubChem CID 45110477) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride
PubChem CID45110477
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC Name2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)CCNC(C)c1ccccc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-11(2)15-18(16,17)10-9-14-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14-15H,9-10H2,1-3H3;1H
InChIKeyBBHPJUWRUZDAQW-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
CID 102676134
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
2-amino-2-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 120590792
N-methyl-2-(1-pyridin-4-ylethylamino)ethanesulfonamide
CID 102676244
3-phenyl-N-(1-phenylethyl)propane-1-sulfonamide
CID 110755445
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
CID 102676086

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride?
The IUPAC name of 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride (CID 45110477) is 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride?
The canonical SMILES for 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride is CC(C)NS(=O)(=O)CCNC(C)c1ccccc1.Cl.
What is the InChIKey of 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride?
The InChIKey is BBHPJUWRUZDAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-11(2)15-18(16,17)10-9-14-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14-15H,9-10H2,1-3H3;1H.
What are the key properties of 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride?
2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 45110477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).