N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide

C15H24N4O6S — CID 57299526

IUPACN-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide
SMILESCC1CC(=O)N(C(=O)N[C@H](CS(C)(=O)=O)C(=O)N2CCC[C@H]2C(N)=O)C1
InChIInChI=1S/C15H24N4O6S/c1-9-6-12(20)19(7-9)15(23)17-10(8-26(2,24)25)14(22)18-5-3-4-11(18)13(16)21/h9-11H,3-8H2,1-2H3,(H2,16,21)(H,17,23)/t9?,10-,11+/m1/s1
InChIKeyIODIEXJNBVLKQA-ZOCYIJKUSA-N
MW388.45 g/mol
LogP-1.55
Rot. Bonds5

About N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide

N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide (PubChem CID 57299526) has the molecular formula C15H24N4O6S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide
PubChem CID57299526
Molecular FormulaC15H24N4O6S
Molecular Weight388.45 g/mol
Exact Mass388.14
IUPAC NameN-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide
SMILESCC1CC(=O)N(C(=O)N[C@H](CS(C)(=O)=O)C(=O)N2CCC[C@H]2C(N)=O)C1
InChIInChI=1S/C15H24N4O6S/c1-9-6-12(20)19(7-9)15(23)17-10(8-26(2,24)25)14(22)18-5-3-4-11(18)13(16)21/h9-11H,3-8H2,1-2H3,(H2,16,21)(H,17,23)/t9?,10-,11+/m1/s1
InChIKeyIODIEXJNBVLKQA-ZOCYIJKUSA-N
XLogP-1.55
TPSA146.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide (CID 57299526) is N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide is CC1CC(=O)N(C(=O)N[C@H](CS(C)(=O)=O)C(=O)N2CCC[C@H]2C(N)=O)C1.
What is the InChIKey of N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide?
The InChIKey is IODIEXJNBVLKQA-ZOCYIJKUSA-N. The full InChI is InChI=1S/C15H24N4O6S/c1-9-6-12(20)19(7-9)15(23)17-10(8-26(2,24)25)14(22)18-5-3-4-11(18)13(16)21/h9-11H,3-8H2,1-2H3,(H2,16,21)(H,17,23)/t9?,10-,11+/m1/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide?
N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide has a molecular weight of 388.45 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-methylsulfonyl-1-oxopropan-2-yl]-4-methyl-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 57299526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).