2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide

C11H15ClN2OS — CID 115977123

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-5-4-7(16-10)6-14-9-3-1-2-8(9)11(13)15/h4-5,8-9,14H,1-3,6H2,(H2,13,15)
InChIKeyWJXTUEYPGGTVKO-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.15
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide

2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide (PubChem CID 115977123) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
PubChem CID115977123
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NCc1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-5-4-7(16-10)6-14-9-3-1-2-8(9)11(13)15/h4-5,8-9,14H,1-3,6H2,(H2,13,15)
InChIKeyWJXTUEYPGGTVKO-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide (CID 115977123) is 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
The InChIKey is WJXTUEYPGGTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-10-5-4-7(16-10)6-14-9-3-1-2-8(9)11(13)15/h4-5,8-9,14H,1-3,6H2,(H2,13,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide?
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 115977123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).