N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride

C12H19ClN2O3S — CID 3041768

IUPACN-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(CCNC2CC2)ccc1O.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-18(16,17)14-11-8-9(2-5-12(11)15)6-7-13-10-3-4-10;/h2,5,8,10,13-15H,3-4,6-7H2,1H3;1H
InChIKeyDEBAAFSGXQYCCG-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.48
Rot. Bonds6

About N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride

N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride (PubChem CID 3041768) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride
PubChem CID3041768
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC NameN-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(CCNC2CC2)ccc1O.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-18(16,17)14-11-8-9(2-5-12(11)15)6-7-13-10-3-4-10;/h2,5,8,10,13-15H,3-4,6-7H2,1H3;1H
InChIKeyDEBAAFSGXQYCCG-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride (CID 3041768) is N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cc(CCNC2CC2)ccc1O.Cl.
What is the InChIKey of N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
The InChIKey is DEBAAFSGXQYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-18(16,17)14-11-8-9(2-5-12(11)15)6-7-13-10-3-4-10;/h2,5,8,10,13-15H,3-4,6-7H2,1H3;1H.
What are the key properties of N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride?
N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropylamino)ethyl]-2-hydroxyphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 3041768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).