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

C12H18N2OS — CID 107026394

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESN#CCCN(C(=O)CC1(CS)CC1)C1CC1
InChIInChI=1S/C12H18N2OS/c13-6-1-7-14(10-2-3-10)11(15)8-12(9-16)4-5-12/h10,16H,1-5,7-9H2
InChIKeyKFFZZOCORZLZFG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.99
Rot. Bonds6

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

N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107026394) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107026394
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESN#CCCN(C(=O)CC1(CS)CC1)C1CC1
InChIInChI=1S/C12H18N2OS/c13-6-1-7-14(10-2-3-10)11(15)8-12(9-16)4-5-12/h10,16H,1-5,7-9H2
InChIKeyKFFZZOCORZLZFG-UHFFFAOYSA-N
XLogP1.99
TPSA44.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.99
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-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107026394) is N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is N#CCCN(C(=O)CC1(CS)CC1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is KFFZZOCORZLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-6-1-7-14(10-2-3-10)11(15)8-12(9-16)4-5-12/h10,16H,1-5,7-9H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 238.36 g/mol, XLogP of 1.99, 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-cyclopropyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107026394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).