1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile

C9H13NO3S — CID 146442117

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CS(=O)(=O)C2(CO)CC2)CC1
InChIInChI=1S/C9H13NO3S/c10-5-8(1-2-8)7-14(12,13)9(6-11)3-4-9/h11H,1-4,6-7H2
InChIKeyWZKBAEADAUJIKL-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.23
Rot. Bonds4

About 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile

1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile (PubChem CID 146442117) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile
PubChem CID146442117
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CS(=O)(=O)C2(CO)CC2)CC1
InChIInChI=1S/C9H13NO3S/c10-5-8(1-2-8)7-14(12,13)9(6-11)3-4-9/h11H,1-4,6-7H2
InChIKeyWZKBAEADAUJIKL-UHFFFAOYSA-N
XLogP0.23
TPSA78.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile (CID 146442117) is 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile is N#CC1(CS(=O)(=O)C2(CO)CC2)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile?
The InChIKey is WZKBAEADAUJIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c10-5-8(1-2-8)7-14(12,13)9(6-11)3-4-9/h11H,1-4,6-7H2.
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile?
1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile has a molecular weight of 215.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]sulfonylmethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 146442117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).