5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride

C13H19ClN2O2S — CID 118432944

IUPAC5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
SMILESCl.NC1CC1c1cc(C(=O)NC2CCOCC2)cs1
InChIInChI=1S/C13H18N2O2S.ClH/c14-11-6-10(11)12-5-8(7-18-12)13(16)15-9-1-3-17-4-2-9;/h5,7,9-11H,1-4,6,14H2,(H,15,16);1H
InChIKeyMHBIVVYKOKZKLF-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.89
Rot. Bonds3

About 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride

5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride (PubChem CID 118432944) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
PubChem CID118432944
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
SMILESCl.NC1CC1c1cc(C(=O)NC2CCOCC2)cs1
InChIInChI=1S/C13H18N2O2S.ClH/c14-11-6-10(11)12-5-8(7-18-12)13(16)15-9-1-3-17-4-2-9;/h5,7,9-11H,1-4,6,14H2,(H,15,16);1H
InChIKeyMHBIVVYKOKZKLF-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118433136
5-[(1R,2R)-2-(cyclobutylamino)cyclopropyl]-N-cyclopentylthiophene-3-carboxamide
CID 125492639
4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 118432628
N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
5-tert-butyl-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 140901140
N-cyclopentyl-5-[2-(cyclopropylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432933
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
5-[2-(cyclobutylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 118432734
4-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432728
N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
CID 79693813
3-(chloromethyl)-N-(oxan-4-yl)benzamide
CID 43610029
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(oxan-4-yl)benzamide
CID 43610520

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride (CID 118432944) is 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride is Cl.NC1CC1c1cc(C(=O)NC2CCOCC2)cs1.
What is the InChIKey of 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is MHBIVVYKOKZKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S.ClH/c14-11-6-10(11)12-5-8(7-18-12)13(16)15-9-1-3-17-4-2-9;/h5,7,9-11H,1-4,6,14H2,(H,15,16);1H.
What are the key properties of 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride?
5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 302.83 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 118432944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).