2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile

C10H18N2OS — CID 107771676

IUPAC2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile
SMILESCC(O)C(C)SCC(N)(C#N)C1CC1
InChIInChI=1S/C10H18N2OS/c1-7(13)8(2)14-6-10(12,5-11)9-3-4-9/h7-9,13H,3-4,6,12H2,1-2H3
InChIKeyXXYNSJQSOKKQCO-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile

2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile (PubChem CID 107771676) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile
PubChem CID107771676
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile
SMILESCC(O)C(C)SCC(N)(C#N)C1CC1
InChIInChI=1S/C10H18N2OS/c1-7(13)8(2)14-6-10(12,5-11)9-3-4-9/h7-9,13H,3-4,6,12H2,1-2H3
InChIKeyXXYNSJQSOKKQCO-UHFFFAOYSA-N
XLogP1.12
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-(2-hydroxyethylsulfanyl)-2-methylpentanenitrile
CID 61919653
2-Amino-2-cyclopropyl-3-(2-hydroxyethylsulfanyl)propanenitrile
CID 63906126
2-Amino-2-cyclopropyl-3-(2-methoxyethylsulfanyl)propanenitrile
CID 63906969
2-Amino-2-cyclopropyl-3-(3-methoxypropylsulfanyl)propanenitrile
CID 63907656
2-Amino-4-(2-hydroxyethylsulfanyl)-2-methylpentanenitrile
CID 64711708
2-Amino-5-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpentanenitrile
CID 66103637
2-Amino-6-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylhexanenitrile
CID 66103864
2-Amino-2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanylpropanenitrile
CID 66104534
2-Cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(methylamino)propanenitrile
CID 66104968
2-Amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpentanenitrile
CID 66105401
2-Cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanenitrile
CID 66125964
2-Amino-4-(3-hydroxypropylsulfanyl)-2-methylpentanenitrile
CID 66126605

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile (CID 107771676) is 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile is CC(O)C(C)SCC(N)(C#N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile?
The InChIKey is XXYNSJQSOKKQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(13)8(2)14-6-10(12,5-11)9-3-4-9/h7-9,13H,3-4,6,12H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile?
2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile has a molecular weight of 214.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)propanenitrile is sourced from PubChem (CID 107771676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).