N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide

C15H24N2O3S — CID 17224742

IUPACN-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCCN(C)C
InChIInChI=1S/C15H24N2O3S/c1-4-12-21(19,20)14-9-6-5-8-13(14)15(18)16-10-7-11-17(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,16,18)
InChIKeySKNSTCUNLNKCOA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.55
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide

N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide (PubChem CID 17224742) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
PubChem CID17224742
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCCCN(C)C
InChIInChI=1S/C15H24N2O3S/c1-4-12-21(19,20)14-9-6-5-8-13(14)15(18)16-10-7-11-17(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,16,18)
InChIKeySKNSTCUNLNKCOA-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
CID 119507988
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide (CID 17224742) is N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide?
The InChIKey is SKNSTCUNLNKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-12-21(19,20)14-9-6-5-8-13(14)15(18)16-10-7-11-17(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide?
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).