5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide

C13H22N2O2S — CID 115735466

IUPAC5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
SMILESCCCCOCCCNCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H22N2O2S/c1-2-3-6-17-7-4-5-15-9-12-8-11(10-18-12)13(14)16/h8,10,15H,2-7,9H2,1H3,(H2,14,16)
InChIKeyNLRRVOVJEITHHQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.14
Rot. Bonds10

About 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide

5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide (PubChem CID 115735466) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
PubChem CID115735466
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
SMILESCCCCOCCCNCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H22N2O2S/c1-2-3-6-17-7-4-5-15-9-12-8-11(10-18-12)13(14)16/h8,10,15H,2-7,9H2,1H3,(H2,14,16)
InChIKeyNLRRVOVJEITHHQ-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
N-[(4-bromothiophen-2-yl)methyl]-3-propoxypropan-1-amine
CID 82941408
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[(heptan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79614425
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448
5-propylthiophene-3-carboxamide
CID 141324975

Frequently Asked Questions

What is the IUPAC name of 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide (CID 115735466) is 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide is CCCCOCCCNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide?
The InChIKey is NLRRVOVJEITHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-3-6-17-7-4-5-15-9-12-8-11(10-18-12)13(14)16/h8,10,15H,2-7,9H2,1H3,(H2,14,16).
What are the key properties of 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide?
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 115735466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).