2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile

C10H18N2S — CID 63907007

IUPAC2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
SMILESCSCC(C#N)(NC(C)C)C1CC1
InChIInChI=1S/C10H18N2S/c1-8(2)12-10(6-11,7-13-3)9-4-5-9/h8-9,12H,4-5,7H2,1-3H3
InChIKeyBJPPSSUIDRZASP-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.02
Rot. Bonds5

About 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 63907007) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
PubChem CID63907007
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
SMILESCSCC(C#N)(NC(C)C)C1CC1
InChIInChI=1S/C10H18N2S/c1-8(2)12-10(6-11,7-13-3)9-4-5-9/h8-9,12H,4-5,7H2,1-3H3
InChIKeyBJPPSSUIDRZASP-UHFFFAOYSA-N
XLogP2.02
TPSA35.82 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2-cyclopropyl-2-(propan-2-ylamino)-3-(1,3-thiazol-2-ylsulfanyl)propanenitrile
CID 63906583
2-cyclopropyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63906381
2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanenitrile
CID 63907749
2-cyclopropyl-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(propan-2-ylamino)propanenitrile
CID 63907276
2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
CID 63906457
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431
2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 64836840

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile (CID 63907007) is 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile is CSCC(C#N)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is BJPPSSUIDRZASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)12-10(6-11,7-13-3)9-4-5-9/h8-9,12H,4-5,7H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 198.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63907007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).