N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide

C8H18N2O3S — CID 61037616

IUPACN,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
SMILESCN(C)C(=O)CNCCCS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-10(2)8(11)7-9-5-4-6-14(3,12)13/h9H,4-7H2,1-3H3
InChIKeyFYEUUULPRYBOAL-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.90
Rot. Bonds6

About N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide

N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide (PubChem CID 61037616) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
PubChem CID61037616
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
SMILESCN(C)C(=O)CNCCCS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-10(2)8(11)7-9-5-4-6-14(3,12)13/h9H,4-7H2,1-3H3
InChIKeyFYEUUULPRYBOAL-UHFFFAOYSA-N
XLogP-0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(3-methylsulfonylpropylamino)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-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
2-(heptylamino)-N,N-dimethylacetamide
CID 43214901
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
2-bromo-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 61019858
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
CID 63191501
methyl 3-(3-methylsulfonylpropylamino)propanoate
CID 61019742
N,N-dimethyl-2-(3-propoxypropylamino)acetamide
CID 82942914
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 54903444

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide (CID 61037616) is N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide is CN(C)C(=O)CNCCCS(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide?
The InChIKey is FYEUUULPRYBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(2)8(11)7-9-5-4-6-14(3,12)13/h9H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide?
N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide has a molecular weight of 222.31 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide is sourced from PubChem (CID 61037616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).