4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide

C15H24N2O3S — CID 63298736

IUPAC4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(NCC(O)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(16-10-15(18)13-4-5-13)12-6-8-14(9-7-12)21(19,20)17(2)3/h6-9,11,13,15-16,18H,4-5,10H2,1-3H3
InChIKeyXPEWFJCQSQRSHU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.36
Rot. Bonds7

About 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 63298736) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID63298736
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(NCC(O)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(16-10-15(18)13-4-5-13)12-6-8-14(9-7-12)21(19,20)17(2)3/h6-9,11,13,15-16,18H,4-5,10H2,1-3H3
InChIKeyXPEWFJCQSQRSHU-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
1-cyclopropyl-2-[1-(4-methylphenyl)ethylamino]ethanol
CID 63294182
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 63298736) is 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide is CC(NCC(O)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XPEWFJCQSQRSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(16-10-15(18)13-4-5-13)12-6-8-14(9-7-12)21(19,20)17(2)3/h6-9,11,13,15-16,18H,4-5,10H2,1-3H3.
What are the key properties of 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63298736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).