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

C12H17NO3S — CID 97040097

IUPACN-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N[C@H]2C[C@@H](CO)[C@H](O)C2)c1
InChIInChI=1S/C12H17NO3S/c1-7-2-11(17-6-7)12(16)13-9-3-8(5-14)10(15)4-9/h2,6,8-10,14-15H,3-5H2,1H3,(H,13,16)/t8-,9-,10+/m0/s1
InChIKeyWTOMKOQTOPRPEB-LPEHRKFASA-N
MW255.34 g/mol
LogP0.92
Rot. Bonds3

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

N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide (PubChem CID 97040097) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
PubChem CID97040097
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N[C@H]2C[C@@H](CO)[C@H](O)C2)c1
InChIInChI=1S/C12H17NO3S/c1-7-2-11(17-6-7)12(16)13-9-3-8(5-14)10(15)4-9/h2,6,8-10,14-15H,3-5H2,1H3,(H,13,16)/t8-,9-,10+/m0/s1
InChIKeyWTOMKOQTOPRPEB-LPEHRKFASA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
5-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-thiophenecarboxamide
CID 2971322
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)thiophene-3-carboxamide
CID 71785772
N-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71785778
N-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophene-2-carboxamide
CID 71787572
N-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 71785783
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-methylthiophene-2-carboxamide
CID 95984590
N-[(3S)-1-hydroxy-4,4-dimethylpentan-3-yl]-3-methylthiophene-2-carboxamide
CID 97857680
N-(2-hydroxycyclobutyl)-4-methylthiophene-2-carboxamide
CID 126856547
N-[(3S)-5-hydroxy-3-thiophen-3-ylpentyl]thiophene-2-carboxamide
CID 129524041

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide (CID 97040097) is N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)N[C@H]2C[C@@H](CO)[C@H](O)C2)c1.
What is the InChIKey of N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
The InChIKey is WTOMKOQTOPRPEB-LPEHRKFASA-N. The full InChI is InChI=1S/C12H17NO3S/c1-7-2-11(17-6-7)12(16)13-9-3-8(5-14)10(15)4-9/h2,6,8-10,14-15H,3-5H2,1H3,(H,13,16)/t8-,9-,10+/m0/s1.
What are the key properties of N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide?
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 97040097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).