N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide

C19H32N2O3S — CID 512849

IUPACN-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide
SMILESCCCCCCCCCN1C(=O)CC(SCCNC(=O)C2CC2)C1=O
InChIInChI=1S/C19H32N2O3S/c1-2-3-4-5-6-7-8-12-21-17(22)14-16(19(21)24)25-13-11-20-18(23)15-9-10-15/h15-16H,2-14H2,1H3,(H,20,23)
InChIKeyQBMHXRZWSJSPDN-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.12
Rot. Bonds13

About N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide

N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide (PubChem CID 512849) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide
PubChem CID512849
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide
SMILESCCCCCCCCCN1C(=O)CC(SCCNC(=O)C2CC2)C1=O
InChIInChI=1S/C19H32N2O3S/c1-2-3-4-5-6-7-8-12-21-17(22)14-16(19(21)24)25-13-11-20-18(23)15-9-10-15/h15-16H,2-14H2,1H3,(H,20,23)
InChIKeyQBMHXRZWSJSPDN-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide (CID 512849) is N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide is CCCCCCCCCN1C(=O)CC(SCCNC(=O)C2CC2)C1=O.
What is the InChIKey of N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide?
The InChIKey is QBMHXRZWSJSPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-2-3-4-5-6-7-8-12-21-17(22)14-16(19(21)24)25-13-11-20-18(23)15-9-10-15/h15-16H,2-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide?
N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide has a molecular weight of 368.54 g/mol, XLogP of 3.12, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-nonyl-2,5-dioxopyrrolidin-3-yl)sulfanylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 512849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).