N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C16H23NO3S — CID 71785778

IUPACN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H23NO3S/c18-10-11-8-12(9-13(11)19)17-15(20)16(5-1-2-6-16)14-4-3-7-21-14/h3-4,7,11-13,18-19H,1-2,5-6,8-10H2,(H,17,20)
InChIKeyVFPQTPZVQWNJJR-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.81
Rot. Bonds4

About N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71785778) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71785778
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NC1CC(O)C(CO)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H23NO3S/c18-10-11-8-12(9-13(11)19)17-15(20)16(5-1-2-6-16)14-4-3-7-21-14/h3-4,7,11-13,18-19H,1-2,5-6,8-10H2,(H,17,20)
InChIKeyVFPQTPZVQWNJJR-UHFFFAOYSA-N
XLogP1.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71782116
N-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2-(thiophen-2-yl)acetamide
CID 71785747
N-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 71785754
N-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 71785783
N-(3-cyclopropyl-3-hydroxypropyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71787472
N-[(2-hydroxycyclopentyl)methyl]-3-thiophen-2-ylpropanamide
CID 65833353
N-[(2-hydroxycyclopentyl)methyl]-2-thiophen-2-ylacetamide
CID 65835045
N-[(2-hydroxycyclopentyl)methyl]-4-thiophen-2-ylbutanamide
CID 65835214
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-thiophen-2-ylpropanamide
CID 75381078
N-(3-hydroxy-4,4-dimethylpentyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 90523415
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 95983037
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 95983038

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71785778) is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NC1CC(O)C(CO)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is VFPQTPZVQWNJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-10-11-8-12(9-13(11)19)17-15(20)16(5-1-2-6-16)14-4-3-7-21-14/h3-4,7,11-13,18-19H,1-2,5-6,8-10H2,(H,17,20).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71785778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).