[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone

C15H22N2OS — CID 72853307

IUPAC[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1
InChIInChI=1S/C15H22N2OS/c1-2-3-12-6-11(9-19-12)15(18)17-7-13(10-4-5-10)14(16)8-17/h6,9-10,13-14H,2-5,7-8,16H2,1H3/t13-,14+/m1/s1
InChIKeyBMVFKYUNDIFHIP-KGLIPLIRSA-N
MW278.42 g/mol
LogP2.51
Rot. Bonds4

About [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone

[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone (PubChem CID 72853307) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
PubChem CID72853307
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1
InChIInChI=1S/C15H22N2OS/c1-2-3-12-6-11(9-19-12)15(18)17-7-13(10-4-5-10)14(16)8-17/h6,9-10,13-14H,2-5,7-8,16H2,1H3/t13-,14+/m1/s1
InChIKeyBMVFKYUNDIFHIP-KGLIPLIRSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone (CID 72853307) is [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone is CCCc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1.
What is the InChIKey of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone?
The InChIKey is BMVFKYUNDIFHIP-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-3-12-6-11(9-19-12)15(18)17-7-13(10-4-5-10)14(16)8-17/h6,9-10,13-14H,2-5,7-8,16H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone?
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone has a molecular weight of 278.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(5-propylthiophen-3-yl)methanone is sourced from PubChem (CID 72853307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).