N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

C14H19N5OS — CID 42988755

IUPACN,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C14H19N5OS/c1-2-8-19-11-7-17-14(19)21-12-13(20)18(9-3-5-15)10-4-6-16/h7,11H,2-4,8-10,12H2,1H3
InChIKeyUUXFAZJDGYKIQV-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.04
Rot. Bonds9

About N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide

N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (PubChem CID 42988755) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
PubChem CID42988755
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
SMILESCCCn1ccnc1SCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C14H19N5OS/c1-2-8-19-11-7-17-14(19)21-12-13(20)18(9-3-5-15)10-4-6-16/h7,11H,2-4,8-10,12H2,1H3
InChIKeyUUXFAZJDGYKIQV-UHFFFAOYSA-N
XLogP2.04
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide (CID 42988755) is N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is CCCn1ccnc1SCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
The InChIKey is UUXFAZJDGYKIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-8-19-11-7-17-14(19)21-12-13(20)18(9-3-5-15)10-4-6-16/h7,11H,2-4,8-10,12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide?
N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide has a molecular weight of 305.41 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 42988755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).