N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

C12H27N3O3S — CID 113153198

IUPACN-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)NCCN(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-11(2)6-8-15(19(5,17)18)10-12(16)13-7-9-14(3)4/h11H,6-10H2,1-5H3,(H,13,16)
InChIKeyLREWZUXZPQSAOI-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.03
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (PubChem CID 113153198) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
PubChem CID113153198
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)NCCN(C)C)S(C)(=O)=O
InChIInChI=1S/C12H27N3O3S/c1-11(2)6-8-15(19(5,17)18)10-12(16)13-7-9-14(3)4/h11H,6-10H2,1-5H3,(H,13,16)
InChIKeyLREWZUXZPQSAOI-UHFFFAOYSA-N
XLogP-0.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide 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

2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113152553
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
N-[(2-chlorophenyl)methyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153214
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113149104
2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
CID 113148433
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153356
methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
CID 113065507
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (CID 113153198) is N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is CC(C)CCN(CC(=O)NCCN(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The InChIKey is LREWZUXZPQSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-11(2)6-8-15(19(5,17)18)10-12(16)13-7-9-14(3)4/h11H,6-10H2,1-5H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide has a molecular weight of 293.43 g/mol, XLogP of -0.03, 9 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-[3-methylbutyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113153198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).