N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide

C8H16N2O3S — CID 60915783

IUPACN-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
SMILESCS(=O)(=O)CCNCC(=O)NC1CC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)5-4-9-6-8(11)10-7-2-3-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyPVYCGGSPSVELGE-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.10
Rot. Bonds6

About N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide

N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide (PubChem CID 60915783) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
PubChem CID60915783
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
SMILESCS(=O)(=O)CCNCC(=O)NC1CC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)5-4-9-6-8(11)10-7-2-3-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyPVYCGGSPSVELGE-UHFFFAOYSA-N
XLogP-1.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylsulfonylethylamino)-N-cyclopropylacetamide
CID 113268578
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
N-cyclopropyl-2-(3-hydroxybutylamino)acetamide
CID 64912481
2-(3-aminopropylamino)-N-cyclopropylacetamide
CID 62274184
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
N-cyclopropyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 79588879
N-cyclopropyl-2-(2-propan-2-yloxyethylamino)acetamide
CID 60697253
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
N-cyclopropyl-2-(2,2-dimethylpropylamino)acetamide
CID 61167227
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide (CID 60915783) is N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide is CS(=O)(=O)CCNCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide?
The InChIKey is PVYCGGSPSVELGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)5-4-9-6-8(11)10-7-2-3-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide?
N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide has a molecular weight of 220.29 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide is sourced from PubChem (CID 60915783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).