N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide

C9H20N2O3S — CID 110408260

IUPACN-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
SMILESCN(C)CCCNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-11(2)7-4-6-10-9(12)5-8-15(3,13)14/h4-8H2,1-3H3,(H,10,12)
InChIKeyKFAZYBFAYIJZGF-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.51
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide

N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide (PubChem CID 110408260) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
PubChem CID110408260
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
SMILESCN(C)CCCNC(=O)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O3S/c1-11(2)7-4-6-10-9(12)5-8-15(3,13)14/h4-8H2,1-3H3,(H,10,12)
InChIKeyKFAZYBFAYIJZGF-UHFFFAOYSA-N
XLogP-0.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343157
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
methyl 3-(3-methylsulfonylpropanoylamino)propanoate
CID 55029430
4-hydroxy-N-(2-methylsulfonylethyl)butanamide
CID 79192327
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]butanamide
CID 112991542
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide (CID 110408260) is N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide is CN(C)CCCNC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide?
The InChIKey is KFAZYBFAYIJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-11(2)7-4-6-10-9(12)5-8-15(3,13)14/h4-8H2,1-3H3,(H,10,12).
What are the key properties of N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide?
N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide has a molecular weight of 236.34 g/mol, XLogP of -0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 110408260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).