[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone

C14H20N2OS — CID 119413263

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C14H20N2OS/c1-10(2)18-13-5-3-11(4-6-13)14(17)16-8-7-12(15)9-16/h3-6,10,12H,7-9,15H2,1-2H3/t12-/m1/s1
InChIKeyUBRKPZZDCZFWRB-GFCCVEGCSA-N
MW264.39 g/mol
LogP2.36
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone (PubChem CID 119413263) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
PubChem CID119413263
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
SMILESCC(C)Sc1ccc(C(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C14H20N2OS/c1-10(2)18-13-5-3-11(4-6-13)14(17)16-8-7-12(15)9-16/h3-6,10,12H,7-9,15H2,1-2H3/t12-/m1/s1
InChIKeyUBRKPZZDCZFWRB-GFCCVEGCSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119355321
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119563784
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 119412080
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
1-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119412031
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
[2-(aminomethyl)pyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119634437
N-[[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 119411289

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone (CID 119413263) is [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone is CC(C)Sc1ccc(C(=O)N2CC[C@@H](N)C2)cc1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone?
The InChIKey is UBRKPZZDCZFWRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)18-13-5-3-11(4-6-13)14(17)16-8-7-12(15)9-16/h3-6,10,12H,7-9,15H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone is sourced from PubChem (CID 119413263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).