N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide

C13H22N2O2S — CID 60648817

IUPACN-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C13H22N2O2S/c1-4-10-18(16,17)14-11-13(15(2)3)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyMQPQAHYHTDTINP-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.62
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide

N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide (PubChem CID 60648817) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
PubChem CID60648817
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C13H22N2O2S/c1-4-10-18(16,17)14-11-13(15(2)3)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyMQPQAHYHTDTINP-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 110620930
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
CID 79588864
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]butane-1-sulfonamide
CID 112503856
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(dimethylamino)-2-phenylethyl]cyclopentanesulfonamide
CID 110301928

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide (CID 60648817) is N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide?
The InChIKey is MQPQAHYHTDTINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-10-18(16,17)14-11-13(15(2)3)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide?
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide is sourced from PubChem (CID 60648817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).