3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride

C8H14FNO3S — CID 138006204

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride
SMILESCC1CC1C(=O)NCCCS(=O)(=O)F
InChIInChI=1S/C8H14FNO3S/c1-6-5-7(6)8(11)10-3-2-4-14(9,12)13/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyGCWIYTMKPKTZQQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.45
Rot. Bonds5

About 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride

3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride (PubChem CID 138006204) has the molecular formula C8H14FNO3S and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride
PubChem CID138006204
Molecular FormulaC8H14FNO3S
Molecular Weight223.27 g/mol
Exact Mass223.07
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride
SMILESCC1CC1C(=O)NCCCS(=O)(=O)F
InChIInChI=1S/C8H14FNO3S/c1-6-5-7(6)8(11)10-3-2-4-14(9,12)13/h6-7H,2-5H2,1H3,(H,10,11)
InChIKeyGCWIYTMKPKTZQQ-UHFFFAOYSA-N
XLogP0.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.45
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

Isocaproyltaurine
CID 89595864
N-[(1R,2R)-2-ethylcyclopropyl]-2-methylsulfonylacetamide
CID 136581602
1-(2-Methylcyclopropanecarbonyl)pyrrolidine-3-sulfonyl fluoride
CID 138027452
[1-(2-Methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride
CID 164629973
[(1R,3S)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride
CID 164639730
2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide
CID 136531459
(1S,3R)-2,2-difluoro-3-methyl-N-(1-methylsulfonylpropan-2-yl)cyclopropane-1-carboxamide
CID 136589318
1-(2-Methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride
CID 138006198
rac-[(1R,3S)-3-(2-methylcyclopropaneamido)cyclopentyl]methanesulfonyl fluoride
CID 138006202
2-(Cyclopropanecarbonylamino)ethanesulfonyl fluoride
CID 166409042
4-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 52172748
4-methyl-N-(2-sulfamoylethyl)pentanamide
CID 61066855

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride (CID 138006204) is 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride is CC1CC1C(=O)NCCCS(=O)(=O)F.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride?
The InChIKey is GCWIYTMKPKTZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3S/c1-6-5-7(6)8(11)10-3-2-4-14(9,12)13/h6-7H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride?
3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride has a molecular weight of 223.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]propane-1-sulfonyl fluoride is sourced from PubChem (CID 138006204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).