(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide

C16H21N3OS — CID 125129924

IUPAC(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)NCc2cc3ccccc3s2)C1
InChIInChI=1S/C16H21N3OS/c1-18(2)13-7-8-19(11-13)16(20)17-10-14-9-12-5-3-4-6-15(12)21-14/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeySBLBMOSDHUOKPZ-CYBMUJFWSA-N
MW303.43 g/mol
LogP2.75
Rot. Bonds3

About (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide

(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide (PubChem CID 125129924) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
PubChem CID125129924
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
SMILESCN(C)[C@@H]1CCN(C(=O)NCc2cc3ccccc3s2)C1
InChIInChI=1S/C16H21N3OS/c1-18(2)13-7-8-19(11-13)16(20)17-10-14-9-12-5-3-4-6-15(12)21-14/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeySBLBMOSDHUOKPZ-CYBMUJFWSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 63550040
N'-(1-benzothiophen-2-ylmethyl)-N-methylacetohydrazide
CID 171823190
ethyl 1-[(5-fluoro-1-benzothiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylate
CID 60562915
N-(3-anilino-3-oxopropyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 122565552
3-(dimethylamino)-N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-1-carboxamide;formic acid
CID 154908373
(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 118795564
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
(3S)-3-(dimethylamino)-N-(2-methyl-1-benzofuran-7-yl)pyrrolidine-1-carboxamide
CID 97279098
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
1-[4-[3-[(1-benzothiophen-2-ylmethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 26403529
(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
CID 97224296
1-(1-benzothiophen-2-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 122124474

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide (CID 125129924) is (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide is CN(C)[C@@H]1CCN(C(=O)NCc2cc3ccccc3s2)C1.
What is the InChIKey of (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
The InChIKey is SBLBMOSDHUOKPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-18(2)13-7-8-19(11-13)16(20)17-10-14-9-12-5-3-4-6-15(12)21-14/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide?
(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125129924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).