2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile

C8H14N2O2S — CID 81174292

IUPAC2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CS(=O)(=O)CCN)CC1
InChIInChI=1S/C8H14N2O2S/c9-4-3-8(1-2-8)7-13(11,12)6-5-10/h1-3,5-7,10H2
InChIKeyFFUCLWZRQLQYQO-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.05
Rot. Bonds5

About 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile

2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile (PubChem CID 81174292) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile
PubChem CID81174292
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CS(=O)(=O)CCN)CC1
InChIInChI=1S/C8H14N2O2S/c9-4-3-8(1-2-8)7-13(11,12)6-5-10/h1-3,5-7,10H2
InChIKeyFFUCLWZRQLQYQO-UHFFFAOYSA-N
XLogP0.05
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile (CID 81174292) is 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile is N#CCC1(CS(=O)(=O)CCN)CC1.
What is the InChIKey of 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile?
The InChIKey is FFUCLWZRQLQYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-4-3-8(1-2-8)7-13(11,12)6-5-10/h1-3,5-7,10H2.
What are the key properties of 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile?
2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile has a molecular weight of 202.28 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethylsulfonylmethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 81174292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).