(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide

C18H22N2O3S — CID 124727498

IUPAC(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)19-18(21)20-10-9-17(12-20)24(2,22)23/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyDACSASYHJAODPS-CXAGYDPISA-N
MW346.45 g/mol
LogP2.73
Rot. Bonds3

About (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide

(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide (PubChem CID 124727498) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide
PubChem CID124727498
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O3S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)19-18(21)20-10-9-17(12-20)24(2,22)23/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,19,21)/t13-,17-/m1/s1
InChIKeyDACSASYHJAODPS-CXAGYDPISA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508
N-[2,2-dimethyl-1-(3-methylphenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 131961104
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 90114971
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 97427288
1-[(3R,4S)-3-methyl-4-[[(1R)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]propan-1-one
CID 98772851
(3S,4S)-4-methyl-1-[1-(1-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120862
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide (CID 124727498) is (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide is C[C@@H](NC(=O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide?
The InChIKey is DACSASYHJAODPS-CXAGYDPISA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(15-8-7-14-5-3-4-6-16(14)11-15)19-18(21)20-10-9-17(12-20)24(2,22)23/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,19,21)/t13-,17-/m1/s1.
What are the key properties of (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide?
(3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylsulfonyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124727498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).