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

C16H23NO3S — CID 97040076

IUPACN-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](CO)[C@H](O)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)/t11-,12+,13+/m0/s1
InChIKeyVFPQTPZVQWNJJR-YNEHKIRRSA-N
MW309.43 g/mol
LogP1.81
Rot. Bonds4

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

N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 97040076) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID97040076
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](CO)[C@H](O)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)/t11-,12+,13+/m0/s1
InChIKeyVFPQTPZVQWNJJR-YNEHKIRRSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 97040076) is N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(N[C@@H]1C[C@@H](CO)[C@H](O)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is VFPQTPZVQWNJJR-YNEHKIRRSA-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)/t11-,12+,13+/m0/s1.
What are the key properties of N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(1R,3R,4S)-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-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 97040076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).