N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide

C11H27N3O3S — CID 114142609

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCOCCN(C)C
InChIInChI=1S/C11H27N3O3S/c1-4-5-12-7-11-18(15,16)13-6-9-17-10-8-14(2)3/h12-13H,4-11H2,1-3H3
InChIKeySASSOHCHVUNTSQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP-0.52
Rot. Bonds12

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide (PubChem CID 114142609) has the molecular formula C11H27N3O3S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide
PubChem CID114142609
Molecular FormulaC11H27N3O3S
Molecular Weight281.42 g/mol
Exact Mass281.18
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCOCCN(C)C
InChIInChI=1S/C11H27N3O3S/c1-4-5-12-7-11-18(15,16)13-6-9-17-10-8-14(2)3/h12-13H,4-11H2,1-3H3
InChIKeySASSOHCHVUNTSQ-UHFFFAOYSA-N
XLogP-0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
CID 120716053
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
CID 106402426
N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
N-(2-but-3-enoxyethyl)propane-1-sulfonamide
CID 103854037
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide (CID 114142609) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCCOCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide?
The InChIKey is SASSOHCHVUNTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O3S/c1-4-5-12-7-11-18(15,16)13-6-9-17-10-8-14(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide has a molecular weight of 281.42 g/mol, XLogP of -0.52, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 114142609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).