formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C19H30N2O5S — CID 71786047

IUPACformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCN(CCO)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.O=CO
InChIInChI=1S/C18H28N2O3S.CH2O2/c1-19(8-10-21)13-15-14-23-11-9-20(15)17(22)18(6-2-3-7-18)16-5-4-12-24-16;2-1-3/h4-5,12,15,21H,2-3,6-11,13-14H2,1H3;1H,(H,2,3)
InChIKeyMJFWTMNQOPONJT-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.41
Rot. Bonds6

About formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone

formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 71786047) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Nameformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID71786047
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Nameformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCN(CCO)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.O=CO
InChIInChI=1S/C18H28N2O3S.CH2O2/c1-19(8-10-21)13-15-14-23-11-9-20(15)17(22)18(6-2-3-7-18)16-5-4-12-24-16;2-1-3/h4-5,12,15,21H,2-3,6-11,13-14H2,1H3;1H,(H,2,3)
InChIKeyMJFWTMNQOPONJT-UHFFFAOYSA-N
XLogP1.41
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 71786047) is formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone is CN(CCO)CC1COCCN1C(=O)C1(c2cccs2)CCCC1.O=CO.
What is the InChIKey of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is MJFWTMNQOPONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S.CH2O2/c1-19(8-10-21)13-15-14-23-11-9-20(15)17(22)18(6-2-3-7-18)16-5-4-12-24-16;2-1-3/h4-5,12,15,21H,2-3,6-11,13-14H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 398.53 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 71786047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).