N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde

C24H41N5O4S — CID 143163377

IUPACN,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde
SMILESCNC1CCN(C)CC1.O=CN1CCOCC1.[H]/N=C(\C)c1cc(C=O)sc1NC1CCOCC1
InChIInChI=1S/C12H16N2O2S.C7H16N2.C5H9NO2/c1-8(13)11-6-10(7-15)17-12(11)14-9-2-4-16-5-3-9;1-8-7-3-5-9(2)6-4-7;7-5-6-1-3-8-4-2-6/h6-7,9,13-14H,2-5H2,1H3;7-8H,3-6H2,1-2H3;5H,1-4H2/b13-8+;;
InChIKeyVFJFFWPZHIIEGY-LIYVDSPJSA-N
MW495.69 g/mol
LogP2.31
Rot. Bonds6

About N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde

N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde (PubChem CID 143163377) has the molecular formula C24H41N5O4S and a molecular weight of 495.69 g/mol. Its IUPAC name is N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde.

Molecular Properties

Compound NameN,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde
PubChem CID143163377
Molecular FormulaC24H41N5O4S
Molecular Weight495.69 g/mol
Exact Mass495.29
IUPAC NameN,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde
SMILESCNC1CCN(C)CC1.O=CN1CCOCC1.[H]/N=C(\C)c1cc(C=O)sc1NC1CCOCC1
InChIInChI=1S/C12H16N2O2S.C7H16N2.C5H9NO2/c1-8(13)11-6-10(7-15)17-12(11)14-9-2-4-16-5-3-9;1-8-7-3-5-9(2)6-4-7;7-5-6-1-3-8-4-2-6/h6-7,9,13-14H,2-5H2,1H3;7-8H,3-6H2,1-2H3;5H,1-4H2/b13-8+;;
InChIKeyVFJFFWPZHIIEGY-LIYVDSPJSA-N
XLogP2.31
TPSA106.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136394076
4-ethanimidoyl-N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136483381
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 143163424
N-[4-[(dimethylamino)methyl]cyclohexyl]-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 154548456
5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 163893927
4-ethanimidoyl-N-[4-(2-hydroxyethyliminomethyl)cyclohexyl]-5-(oxan-3-ylamino)thiophene-2-carboxamide
CID 163915572
Tert-butyl 4-[4-[[4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbonyl]amino]cyclohexyl]piperazine-1-carboxylate
CID 164081575
4-Ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde
CID 143163378

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde?
The IUPAC name of N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde (CID 143163377) is N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde.
What is the SMILES notation for N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde?
The canonical SMILES for N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde is CNC1CCN(C)CC1.O=CN1CCOCC1.[H]/N=C(\C)c1cc(C=O)sc1NC1CCOCC1.
What is the InChIKey of N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde?
The InChIKey is VFJFFWPZHIIEGY-LIYVDSPJSA-N. The full InChI is InChI=1S/C12H16N2O2S.C7H16N2.C5H9NO2/c1-8(13)11-6-10(7-15)17-12(11)14-9-2-4-16-5-3-9;1-8-7-3-5-9(2)6-4-7;7-5-6-1-3-8-4-2-6/h6-7,9,13-14H,2-5H2,1H3;7-8H,3-6H2,1-2H3;5H,1-4H2/b13-8+;;.
What are the key properties of N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde?
N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde has a molecular weight of 495.69 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-4-amine;4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carbaldehyde;morpholine-4-carbaldehyde is sourced from PubChem (CID 143163377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).