(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide

C20H27N3OS — CID 134307354

IUPAC(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCN(C)C(CCNC(=O)N1CC[C@@H](c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C20H27N3OS/c1-22(2)19(18-10-13-25-15-18)8-11-21-20(24)23-12-9-17(14-23)16-6-4-3-5-7-16/h3-7,10,13,15,17,19H,8-9,11-12,14H2,1-2H3,(H,21,24)/t17-,19?/m1/s1
InChIKeyGNAOOBDGBFMZRF-DUSLRRAJSA-N
MW357.52 g/mol
LogP3.94
Rot. Bonds6

About (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide

(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 134307354) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID134307354
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
SMILESCN(C)C(CCNC(=O)N1CC[C@@H](c2ccccc2)C1)c1ccsc1
InChIInChI=1S/C20H27N3OS/c1-22(2)19(18-10-13-25-15-18)8-11-21-20(24)23-12-9-17(14-23)16-6-4-3-5-7-16/h3-7,10,13,15,17,19H,8-9,11-12,14H2,1-2H3,(H,21,24)/t17-,19?/m1/s1
InChIKeyGNAOOBDGBFMZRF-DUSLRRAJSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(3R)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide;hydrochloride
CID 156759424
2-[(3S)-3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide
CID 155620854
propan-2-yl 3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoate
CID 86870723
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723708
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
CID 134307213
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
(2S)-2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 107839602
2-hydroxy-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 66166344
3-methyl-4-[(3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 81066848
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
(3S)-3-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 95342259

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide (CID 134307354) is (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide is CN(C)C(CCNC(=O)N1CC[C@@H](c2ccccc2)C1)c1ccsc1.
What is the InChIKey of (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is GNAOOBDGBFMZRF-DUSLRRAJSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22(2)19(18-10-13-25-15-18)8-11-21-20(24)23-12-9-17(14-23)16-6-4-3-5-7-16/h3-7,10,13,15,17,19H,8-9,11-12,14H2,1-2H3,(H,21,24)/t17-,19?/m1/s1.
What are the key properties of (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide?
(3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(dimethylamino)-3-thiophen-3-ylpropyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 134307354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).