1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile

C11H20N2O3S — CID 79594033

IUPAC1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile
SMILESCC(C)OCCS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C11H20N2O3S/c1-10(2)16-7-8-17(14,15)13-5-3-11(9-12)4-6-13/h10-11H,3-8H2,1-2H3
InChIKeySYLVQKOUJNOGCC-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.98
Rot. Bonds5

About 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile

1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile (PubChem CID 79594033) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile
PubChem CID79594033
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile
SMILESCC(C)OCCS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C11H20N2O3S/c1-10(2)16-7-8-17(14,15)13-5-3-11(9-12)4-6-13/h10-11H,3-8H2,1-2H3
InChIKeySYLVQKOUJNOGCC-UHFFFAOYSA-N
XLogP0.98
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile (CID 79594033) is 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile is CC(C)OCCS(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile?
The InChIKey is SYLVQKOUJNOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-10(2)16-7-8-17(14,15)13-5-3-11(9-12)4-6-13/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile?
1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile has a molecular weight of 260.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 79594033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).