cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid

C13H19NO2S — CID 68910063

IUPACcyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid
SMILESCc1cc(CN(C(=O)O)C2CCCC2)sc1C
InChIInChI=1S/C13H19NO2S/c1-9-7-12(17-10(9)2)8-14(13(15)16)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyAOBXNWWEUYWATH-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.79
Rot. Bonds3

About cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid

cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid (PubChem CID 68910063) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid.

Molecular Properties

Compound Namecyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid
PubChem CID68910063
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Namecyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid
SMILESCc1cc(CN(C(=O)O)C2CCCC2)sc1C
InChIInChI=1S/C13H19NO2S/c1-9-7-12(17-10(9)2)8-14(13(15)16)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyAOBXNWWEUYWATH-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid?
The IUPAC name of cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid (CID 68910063) is cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid.
What is the SMILES notation for cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid?
The canonical SMILES for cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid is Cc1cc(CN(C(=O)O)C2CCCC2)sc1C.
What is the InChIKey of cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid?
The InChIKey is AOBXNWWEUYWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-7-12(17-10(9)2)8-14(13(15)16)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid?
cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid has a molecular weight of 253.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(4,5-dimethylthiophen-2-yl)methyl]carbamic acid is sourced from PubChem (CID 68910063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).