5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide

C15H20N2O2S — CID 79990036

IUPAC5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCC(O)CC2)sc1C#CCN
InChIInChI=1S/C15H20N2O2S/c1-10-9-14(20-13(10)3-2-8-16)15(19)17-11-4-6-12(18)7-5-11/h9,11-12,18H,4-8,16H2,1H3,(H,17,19)
InChIKeyLDLZAPUCPFFBRC-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.40
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide (PubChem CID 79990036) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
PubChem CID79990036
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CCC(O)CC2)sc1C#CCN
InChIInChI=1S/C15H20N2O2S/c1-10-9-14(20-13(10)3-2-8-16)15(19)17-11-4-6-12(18)7-5-11/h9,11-12,18H,4-8,16H2,1H3,(H,17,19)
InChIKeyLDLZAPUCPFFBRC-UHFFFAOYSA-N
XLogP1.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide (CID 79990036) is 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CCC(O)CC2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide?
The InChIKey is LDLZAPUCPFFBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-9-14(20-13(10)3-2-8-16)15(19)17-11-4-6-12(18)7-5-11/h9,11-12,18H,4-8,16H2,1H3,(H,17,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79990036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).