N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H20N2OS — CID 107026383

IUPACN-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)N(CCC#N)C(=O)CC1(CS)CC1
InChIInChI=1S/C12H20N2OS/c1-10(2)14(7-3-6-13)11(15)8-12(9-16)4-5-12/h10,16H,3-5,7-9H2,1-2H3
InChIKeySZPXMYLIJSWYCR-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.24
Rot. Bonds6

About N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107026383) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107026383
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)N(CCC#N)C(=O)CC1(CS)CC1
InChIInChI=1S/C12H20N2OS/c1-10(2)14(7-3-6-13)11(15)8-12(9-16)4-5-12/h10,16H,3-5,7-9H2,1-2H3
InChIKeySZPXMYLIJSWYCR-UHFFFAOYSA-N
XLogP2.24
TPSA44.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107026383) is N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(C)N(CCC#N)C(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is SZPXMYLIJSWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(2)14(7-3-6-13)11(15)8-12(9-16)4-5-12/h10,16H,3-5,7-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 240.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107026383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).