N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H25N3O2S — CID 106032301

IUPACN-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccccc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C14H25N3O2S/c1-12(2)15-11-13-7-5-6-8-14(13)20(18,19)16-9-10-17(3)4/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyUBEDRYHUHDQSGS-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.02
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide

N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106032301) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106032301
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccccc1S(=O)(=O)NCCN(C)C
InChIInChI=1S/C14H25N3O2S/c1-12(2)15-11-13-7-5-6-8-14(13)20(18,19)16-9-10-17(3)4/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyUBEDRYHUHDQSGS-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107962486
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977
N-(1-methylsulfanylpropan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106079555
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106064198
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
N-[2-(dimethylamino)ethyl]-2-[(2-ethylphenyl)sulfonylamino]propanamide
CID 126830232
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106055677
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640214
N-[2-(dimethylamino)ethyl]-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42346316
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106032301) is N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccccc1S(=O)(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is UBEDRYHUHDQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-12(2)15-11-13-7-5-6-8-14(13)20(18,19)16-9-10-17(3)4/h5-8,12,15-16H,9-11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106032301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).