N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide

C12H18N2O3S2 — CID 94117741

IUPACN-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C12H18N2O3S2/c1-19(16,17)13-6-4-12(15)14-7-2-3-11(14)10-5-8-18-9-10/h5,8-9,11,13H,2-4,6-7H2,1H3/t11-/m1/s1
InChIKeyRRDHZHYIVGAABT-LLVKDONJSA-N
MW302.42 g/mol
LogP1.35
Rot. Bonds5

About N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 94117741) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID94117741
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C12H18N2O3S2/c1-19(16,17)13-6-4-12(15)14-7-2-3-11(14)10-5-8-18-9-10/h5,8-9,11,13H,2-4,6-7H2,1H3/t11-/m1/s1
InChIKeyRRDHZHYIVGAABT-LLVKDONJSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913
N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 47036904
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
1-cyclohexyl-3-[3-oxo-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]urea
CID 94114826
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
2-methyl-4-oxo-2-propan-2-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butanoic acid
CID 60948810
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 55792658
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide (CID 94117741) is N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is RRDHZHYIVGAABT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-19(16,17)13-6-4-12(15)14-7-2-3-11(14)10-5-8-18-9-10/h5,8-9,11,13H,2-4,6-7H2,1H3/t11-/m1/s1.
What are the key properties of N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94117741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).