N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide

C9H21N3O3S — CID 18005779

IUPACN-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide
SMILESCCS(=O)(=O)NCC(=O)N(C)CCN(C)C
InChIInChI=1S/C9H21N3O3S/c1-5-16(14,15)10-8-9(13)12(4)7-6-11(2)3/h10H,5-8H2,1-4H3
InChIKeyVHHDHGUJTCUELG-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.05
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide

N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide (PubChem CID 18005779) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide
PubChem CID18005779
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide
SMILESCCS(=O)(=O)NCC(=O)N(C)CCN(C)C
InChIInChI=1S/C9H21N3O3S/c1-5-16(14,15)10-8-9(13)12(4)7-6-11(2)3/h10H,5-8H2,1-4H3
InChIKeyVHHDHGUJTCUELG-UHFFFAOYSA-N
XLogP-1.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide (CID 18005779) is N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide is CCS(=O)(=O)NCC(=O)N(C)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide?
The InChIKey is VHHDHGUJTCUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-5-16(14,15)10-8-9(13)12(4)7-6-11(2)3/h10H,5-8H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide?
N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide has a molecular weight of 251.35 g/mol, XLogP of -1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(ethylsulfonylamino)-N-methylacetamide is sourced from PubChem (CID 18005779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).