N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide

C9H16N2O3S — CID 79859167

IUPACN-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-4-5-10-8-9(12)11(2)6-7-15(3,13)14/h1,10H,5-8H2,2-3H3
InChIKeyZAMALGLGCZDYKA-UHFFFAOYSA-N
MW232.30 g/mol
LogP-1.29
Rot. Bonds6

About N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide

N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79859167) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79859167
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C9H16N2O3S/c1-4-5-10-8-9(12)11(2)6-7-15(3,13)14/h1,10H,5-8H2,2-3H3
InChIKeyZAMALGLGCZDYKA-UHFFFAOYSA-N
XLogP-1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722313
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287117
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287515
3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79859181
methyl 2-[methyl(2-methylsulfonylethyl)amino]-2-oxoacetate
CID 112617435
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287495
N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 112722315
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide (CID 79859167) is N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is ZAMALGLGCZDYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-4-5-10-8-9(12)11(2)6-7-15(3,13)14/h1,10H,5-8H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide?
N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 232.30 g/mol, XLogP of -1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79859167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).