[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone

C14H22N2O2S — CID 72919065

IUPAC[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1
InChIInChI=1S/C14H22N2O2S/c1-10-4-11(9-19-10)14(18)16-6-12(5-15(2)3)13(7-16)8-17/h4,9,12-13,17H,5-8H2,1-3H3/t12-,13-/m1/s1
InChIKeyDRXXPYHMQYYSCP-CHWSQXEVSA-N
MW282.41 g/mol
LogP1.30
Rot. Bonds4

About [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone

[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 72919065) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID72919065
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1
InChIInChI=1S/C14H22N2O2S/c1-10-4-11(9-19-10)14(18)16-6-12(5-15(2)3)13(7-16)8-17/h4,9,12-13,17H,5-8H2,1-3H3/t12-,13-/m1/s1
InChIKeyDRXXPYHMQYYSCP-CHWSQXEVSA-N
XLogP1.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[(5-methyl-2-thienyl)carbonyl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70781611
(3S*,4S*)-4-isopropyl-1-[(3-methyl-2-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72856093
(3S*,4S*)-4-isopropyl-1-[(5-methyl-3-thienyl)carbonyl]-3-pyrrolidinecarboxylic acid
CID 72888623
(3R*,4S*)-4-isopropyl-N,N-dimethyl-1-[(5-methyl-3-thienyl)carbonyl]-3-pyrrolidinamine
CID 72918126
[(3aR,6aR)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 97420495
[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97472410
[3-(Dimethylamino)-1-(thiophene-2-carbonyl)piperidin-4-YL]methanol
CID 110197492
(3S*,4R*)-4-(hydroxymethyl)-1-[(5-isopropyl-3-thienyl)carbonyl]-3-piperidinol
CID 56905783
[(3R*,4R*)-1-[(5-methyl-3-thienyl)carbonyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70712194
1-[4-({(3R*,4R*)-3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl}carbonyl)-2-thienyl]ethanone
CID 70743269
N-(3-hydroxy-4,4-dimethylpentyl)-4-methylthiophene-2-carboxamide
CID 71787572

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone (CID 72919065) is [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2C[C@@H](CN(C)C)[C@@H](CO)C2)cs1.
What is the InChIKey of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is DRXXPYHMQYYSCP-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-4-11(9-19-10)14(18)16-6-12(5-15(2)3)13(7-16)8-17/h4,9,12-13,17H,5-8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone?
[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 72919065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).