N-(3-methylsulfonylpropyl)cyclopropanecarboxamide

C8H15NO3S — CID 60859528

IUPACN-(3-methylsulfonylpropyl)cyclopropanecarboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)6-2-5-9-8(10)7-3-4-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyQTHQYTZTHBXUTB-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.05
Rot. Bonds5

About N-(3-methylsulfonylpropyl)cyclopropanecarboxamide

N-(3-methylsulfonylpropyl)cyclopropanecarboxamide (PubChem CID 60859528) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)cyclopropanecarboxamide
PubChem CID60859528
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(3-methylsulfonylpropyl)cyclopropanecarboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C8H15NO3S/c1-13(11,12)6-2-5-9-8(10)7-3-4-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyQTHQYTZTHBXUTB-UHFFFAOYSA-N
XLogP-0.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methyl-N-(2-methylsulfonylethyl)-3-sulfanylpropanamide
CID 72947097
N-[2-(Methylsulfinyl)ethyl]butanamide
CID 15312540
N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide
CID 136581602
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056
3-[(2-Methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride
CID 138006204
2-(Cyclopropanecarbonylamino)ethanesulfonyl fluoride
CID 166409042
S-(2-acetamidoethyl) cyclopropanecarbothioate
CID 11367458
3-(3-Methylbutanoylamino)propane-1-sulfonate
CID 17907960
N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 20735603

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-methylsulfonylpropyl)cyclopropanecarboxamide (CID 60859528) is N-(3-methylsulfonylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)cyclopropanecarboxamide is CS(=O)(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-(3-methylsulfonylpropyl)cyclopropanecarboxamide?
The InChIKey is QTHQYTZTHBXUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-13(11,12)6-2-5-9-8(10)7-3-4-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(3-methylsulfonylpropyl)cyclopropanecarboxamide?
N-(3-methylsulfonylpropyl)cyclopropanecarboxamide has a molecular weight of 205.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 60859528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).