N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide

C19H32N2O3S — CID 54185267

IUPACN-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide
SMILESCCCCCCCCCn1c(O)cc(SCCN(C=O)C2CC2)c1O
InChIInChI=1S/C19H32N2O3S/c1-2-3-4-5-6-7-8-11-21-18(23)14-17(19(21)24)25-13-12-20(15-22)16-9-10-16/h14-16,23-24H,2-13H2,1H3
InChIKeyPEQXZVDIUHMQBU-UHFFFAOYSA-N
MW368.54 g/mol
LogP4.36
Rot. Bonds14

About N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide

N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide (PubChem CID 54185267) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide
PubChem CID54185267
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide
SMILESCCCCCCCCCn1c(O)cc(SCCN(C=O)C2CC2)c1O
InChIInChI=1S/C19H32N2O3S/c1-2-3-4-5-6-7-8-11-21-18(23)14-17(19(21)24)25-13-12-20(15-22)16-9-10-16/h14-16,23-24H,2-13H2,1H3
InChIKeyPEQXZVDIUHMQBU-UHFFFAOYSA-N
XLogP4.36
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide?
The IUPAC name of N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide (CID 54185267) is N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide.
What is the SMILES notation for N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide?
The canonical SMILES for N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide is CCCCCCCCCn1c(O)cc(SCCN(C=O)C2CC2)c1O.
What is the InChIKey of N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide?
The InChIKey is PEQXZVDIUHMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-2-3-4-5-6-7-8-11-21-18(23)14-17(19(21)24)25-13-12-20(15-22)16-9-10-16/h14-16,23-24H,2-13H2,1H3.
What are the key properties of N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide?
N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide has a molecular weight of 368.54 g/mol, XLogP of 4.36, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-(2,5-dihydroxy-1-nonylpyrrol-3-yl)sulfanylethyl]formamide is sourced from PubChem (CID 54185267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).