2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile

C11H13N3O3S2 — CID 7774832

IUPAC2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile
SMILESN#CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C11H13N3O3S2/c12-3-8-18-11-2-1-10(9-13-11)19(15,16)14-4-6-17-7-5-14/h1-2,9H,4-8H2
InChIKeyWCLXSCKFJNJOCD-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.72
Rot. Bonds4

About 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile

2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile (PubChem CID 7774832) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile
PubChem CID7774832
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile
SMILESN#CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C11H13N3O3S2/c12-3-8-18-11-2-1-10(9-13-11)19(15,16)14-4-6-17-7-5-14/h1-2,9H,4-8H2
InChIKeyWCLXSCKFJNJOCD-UHFFFAOYSA-N
XLogP0.72
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile (CID 7774832) is 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile is N#CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile?
The InChIKey is WCLXSCKFJNJOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c12-3-8-18-11-2-1-10(9-13-11)19(15,16)14-4-6-17-7-5-14/h1-2,9H,4-8H2.
What are the key properties of 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile?
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile has a molecular weight of 299.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetonitrile is sourced from PubChem (CID 7774832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).