N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane

C14H26N2O2S — CID 143460096

IUPACN-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
SMILESCCC.Cc1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C11H18N2O2S.C3H8/c1-10-4-6-11(7-5-10)16(14,15)12-8-9-13(2)3;1-3-2/h4-7,12H,8-9H2,1-3H3;3H2,1-2H3
InChIKeySNSHDJOUTCXBFQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane

N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane (PubChem CID 143460096) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
PubChem CID143460096
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
SMILESCCC.Cc1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C11H18N2O2S.C3H8/c1-10-4-6-11(7-5-10)16(14,15)12-8-9-13(2)3;1-3-2/h4-7,12H,8-9H2,1-3H3;3H2,1-2H3
InChIKeySNSHDJOUTCXBFQ-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[2-[2-aminoethyl-[2-[bis[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 88938847
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane (CID 143460096) is N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane is CCC.Cc1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane?
The InChIKey is SNSHDJOUTCXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.C3H8/c1-10-4-6-11(7-5-10)16(14,15)12-8-9-13(2)3;1-3-2/h4-7,12H,8-9H2,1-3H3;3H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane?
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane has a molecular weight of 286.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane is sourced from PubChem (CID 143460096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).