3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide

C13H20N2OS — CID 80705800

IUPAC3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
SMILESCC1(C)CCC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C13H20N2OS/c1-12(2)5-6-13(9-12,11(14)16)15-8-10-4-3-7-17-10/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyJVLONGLUXMFDHO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.27
Rot. Bonds4

About 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide

3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide (PubChem CID 80705800) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
PubChem CID80705800
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
SMILESCC1(C)CCC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C13H20N2OS/c1-12(2)5-6-13(9-12,11(14)16)15-8-10-4-3-7-17-10/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyJVLONGLUXMFDHO-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
8-(thiophen-2-ylmethylamino)spiro[4.5]decane-8-carboxylic acid
CID 114818394
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide (CID 80705800) is 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide is CC1(C)CCC(NCc2cccs2)(C(N)=O)C1.
What is the InChIKey of 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide?
The InChIKey is JVLONGLUXMFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-12(2)5-6-13(9-12,11(14)16)15-8-10-4-3-7-17-10/h3-4,7,15H,5-6,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide?
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 80705800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).