N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide

C12H18N2O2S — CID 113227942

IUPACN-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC(O)c1cccs1)C1CC1
InChIInChI=1S/C12H18N2O2S/c15-10(11-2-1-7-17-11)8-13-5-6-14-12(16)9-3-4-9/h1-2,7,9-10,13,15H,3-6,8H2,(H,14,16)
InChIKeyUHRQOISXOPHYEN-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.90
Rot. Bonds7

About N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113227942) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113227942
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC(O)c1cccs1)C1CC1
InChIInChI=1S/C12H18N2O2S/c15-10(11-2-1-7-17-11)8-13-5-6-14-12(16)9-3-4-9/h1-2,7,9-10,13,15H,3-6,8H2,(H,14,16)
InChIKeyUHRQOISXOPHYEN-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]cyclopropanecarboxamide
CID 115596586
N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
CID 79394046
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
2-(2-piperidin-1-ylethylamino)-1-thiophen-2-ylethanol
CID 60970344
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
2-(3,3-dimethylbutylamino)-1-thiophen-2-ylethanol
CID 115581040

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide (CID 113227942) is N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNCC(O)c1cccs1)C1CC1.
What is the InChIKey of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UHRQOISXOPHYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-10(11-2-1-7-17-11)8-13-5-6-14-12(16)9-3-4-9/h1-2,7,9-10,13,15H,3-6,8H2,(H,14,16).
What are the key properties of N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 254.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113227942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).