N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide

C10H25N3O2S — CID 63699218

IUPACN-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)CCCN(C)C
InChIInChI=1S/C10H25N3O2S/c1-5-11-7-10-16(14,15)13(4)9-6-8-12(2)3/h11H,5-10H2,1-4H3
InChIKeyNTKZVDBAVZSKAA-UHFFFAOYSA-N
MW251.40 g/mol
LogP-0.19
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide

N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide (PubChem CID 63699218) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide
PubChem CID63699218
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide
SMILESCCNCCS(=O)(=O)N(C)CCCN(C)C
InChIInChI=1S/C10H25N3O2S/c1-5-11-7-10-16(14,15)13(4)9-6-8-12(2)3/h11H,5-10H2,1-4H3
InChIKeyNTKZVDBAVZSKAA-UHFFFAOYSA-N
XLogP-0.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide (CID 63699218) is N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide is CCNCCS(=O)(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide?
The InChIKey is NTKZVDBAVZSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-5-11-7-10-16(14,15)13(4)9-6-8-12(2)3/h11H,5-10H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide?
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N-methylethanesulfonamide has a molecular weight of 251.40 g/mol, XLogP of -0.19, 9 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-(ethylamino)-N-methylethanesulfonamide is sourced from PubChem (CID 63699218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).