2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile

C10H18N2S — CID 63908017

IUPAC2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile
SMILESCC(C)CSCC(N)(C#N)C1CC1
InChIInChI=1S/C10H18N2S/c1-8(2)5-13-7-10(12,6-11)9-3-4-9/h8-9H,3-5,7,12H2,1-2H3
InChIKeyHAFRQFWDTFTYLE-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile

2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile (PubChem CID 63908017) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile
PubChem CID63908017
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile
SMILESCC(C)CSCC(N)(C#N)C1CC1
InChIInChI=1S/C10H18N2S/c1-8(2)5-13-7-10(12,6-11)9-3-4-9/h8-9H,3-5,7,12H2,1-2H3
InChIKeyHAFRQFWDTFTYLE-UHFFFAOYSA-N
XLogP2.01
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile (CID 63908017) is 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile is CC(C)CSCC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile?
The InChIKey is HAFRQFWDTFTYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)5-13-7-10(12,6-11)9-3-4-9/h8-9H,3-5,7,12H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile?
2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile has a molecular weight of 198.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-methylpropylsulfanyl)propanenitrile is sourced from PubChem (CID 63908017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).