5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide

C11H18N2OS — CID 79605956

IUPAC5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
SMILESCCC(CC)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H18N2OS/c1-3-9(4-2)13-6-10-5-8(7-15-10)11(12)14/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,14)
InChIKeyZVESJQRDRCPNAS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.13
Rot. Bonds6

About 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide

5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide (PubChem CID 79605956) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
PubChem CID79605956
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
SMILESCCC(CC)NCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H18N2OS/c1-3-9(4-2)13-6-10-5-8(7-15-10)11(12)14/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,14)
InChIKeyZVESJQRDRCPNAS-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide (CID 79605956) is 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide is CCC(CC)NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide?
The InChIKey is ZVESJQRDRCPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-9(4-2)13-6-10-5-8(7-15-10)11(12)14/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,14).
What are the key properties of 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide?
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79605956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).