N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide

C17H25N3O2S — CID 133123351

IUPACN-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(CCC(N)=O)C[C@H]2C2CC2)sc1C
InChIInChI=1S/C17H25N3O2S/c1-10-7-15(23-11(10)2)17(22)19-14-9-20(6-5-16(18)21)8-13(14)12-3-4-12/h7,12-14H,3-6,8-9H2,1-2H3,(H2,18,21)(H,19,22)/t13-,14+/m0/s1
InChIKeyYPDLBWQMSRCXDY-UONOGXRCSA-N
MW335.47 g/mol
LogP1.68
Rot. Bonds6

About N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide

N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 133123351) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID133123351
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CN(CCC(N)=O)C[C@H]2C2CC2)sc1C
InChIInChI=1S/C17H25N3O2S/c1-10-7-15(23-11(10)2)17(22)19-14-9-20(6-5-16(18)21)8-13(14)12-3-4-12/h7,12-14H,3-6,8-9H2,1-2H3,(H2,18,21)(H,19,22)/t13-,14+/m0/s1
InChIKeyYPDLBWQMSRCXDY-UONOGXRCSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide (CID 133123351) is N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N[C@@H]2CN(CCC(N)=O)C[C@H]2C2CC2)sc1C.
What is the InChIKey of N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YPDLBWQMSRCXDY-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-10-7-15(23-11(10)2)17(22)19-14-9-20(6-5-16(18)21)8-13(14)12-3-4-12/h7,12-14H,3-6,8-9H2,1-2H3,(H2,18,21)(H,19,22)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide?
N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 133123351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).