[(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride

C11H18FNO3S — CID 138006202

IUPAC[(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride
SMILESCC1CC1C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1
InChIInChI=1S/C11H18FNO3S/c1-7-4-10(7)11(14)13-9-3-2-8(5-9)6-17(12,15)16/h7-10H,2-6H2,1H3,(H,13,14)/t7?,8-,9+,10?/m0/s1
InChIKeyVHXGSJQNDVEKCR-APTHBXDWSA-N
MW263.33 g/mol
LogP1.23
Rot. Bonds4

About [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride

[(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride (PubChem CID 138006202) has the molecular formula C11H18FNO3S and a molecular weight of 263.33 g/mol. Its IUPAC name is [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride
PubChem CID138006202
Molecular FormulaC11H18FNO3S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name[(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride
SMILESCC1CC1C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1
InChIInChI=1S/C11H18FNO3S/c1-7-4-10(7)11(14)13-9-3-2-8(5-9)6-17(12,15)16/h7-10H,2-6H2,1H3,(H,13,14)/t7?,8-,9+,10?/m0/s1
InChIKeyVHXGSJQNDVEKCR-APTHBXDWSA-N
XLogP1.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride?
The IUPAC name of [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride (CID 138006202) is [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride.
What is the SMILES notation for [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride?
The canonical SMILES for [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride is CC1CC1C(=O)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1.
What is the InChIKey of [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride?
The InChIKey is VHXGSJQNDVEKCR-APTHBXDWSA-N. The full InChI is InChI=1S/C11H18FNO3S/c1-7-4-10(7)11(14)13-9-3-2-8(5-9)6-17(12,15)16/h7-10H,2-6H2,1H3,(H,13,14)/t7?,8-,9+,10?/m0/s1.
What are the key properties of [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride?
[(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride has a molecular weight of 263.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(2-methylcyclopropanecarbonyl)amino]cyclopentyl]methanesulfonyl fluoride is sourced from PubChem (CID 138006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).