5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide

C15H25N3OS — CID 79613485

IUPAC5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(C)C(CNCc1cc(C(N)=O)cs1)N1CCCC1
InChIInChI=1S/C15H25N3OS/c1-11(2)14(18-5-3-4-6-18)9-17-8-13-7-12(10-20-13)15(16)19/h7,10-11,14,17H,3-6,8-9H2,1-2H3,(H2,16,19)
InChIKeyCMOBCOJRMYZARD-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.06
Rot. Bonds7

About 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide

5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79613485) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79613485
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(C)C(CNCc1cc(C(N)=O)cs1)N1CCCC1
InChIInChI=1S/C15H25N3OS/c1-11(2)14(18-5-3-4-6-18)9-17-8-13-7-12(10-20-13)15(16)19/h7,10-11,14,17H,3-6,8-9H2,1-2H3,(H2,16,19)
InChIKeyCMOBCOJRMYZARD-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
CID 79614623
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
N-[(3-bromothiophen-2-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 115379843
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
CID 79614458

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide (CID 79613485) is 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide is CC(C)C(CNCc1cc(C(N)=O)cs1)N1CCCC1.
What is the InChIKey of 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is CMOBCOJRMYZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(2)14(18-5-3-4-6-18)9-17-8-13-7-12(10-20-13)15(16)19/h7,10-11,14,17H,3-6,8-9H2,1-2H3,(H2,16,19).
What are the key properties of 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide?
5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).