N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride

C12H21ClN2O2S — CID 72941514

IUPACN-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride
SMILESCC(C)NCCc1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16;/h4-7,10,13-14H,8-9H2,1-3H3;1H
InChIKeyGPOMQHDZXSGJKB-UHFFFAOYSA-N
MW292.83 g/mol
LogP2.02
Rot. Bonds6

About N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride

N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 72941514) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID72941514
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride
SMILESCC(C)NCCc1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16;/h4-7,10,13-14H,8-9H2,1-3H3;1H
InChIKeyGPOMQHDZXSGJKB-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride (CID 72941514) is N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride is CC(C)NCCc1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is GPOMQHDZXSGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-10(2)13-9-8-11-4-6-12(7-5-11)14-17(3,15)16;/h4-7,10,13-14H,8-9H2,1-3H3;1H.
What are the key properties of N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride?
N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 72941514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).