1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide

C17H24N4O5S2 — CID 95789268

IUPAC1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C
InChIInChI=1S/C17H24N4O5S2/c1-10-13-15(26-4)19-12(8-25-3)20-16(13)27-14(10)17(22)21-7-5-6-11(21)9-28(23,24)18-2/h11,18H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyFQYFAWFACCVTML-NSHDSACASA-N
MW428.54 g/mol
LogP1.31
Rot. Bonds7

About 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 95789268) has the molecular formula C17H24N4O5S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID95789268
Molecular FormulaC17H24N4O5S2
Molecular Weight428.54 g/mol
Exact Mass428.12
IUPAC Name1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C
InChIInChI=1S/C17H24N4O5S2/c1-10-13-15(26-4)19-12(8-25-3)20-16(13)27-14(10)17(22)21-7-5-6-11(21)9-28(23,24)18-2/h11,18H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyFQYFAWFACCVTML-NSHDSACASA-N
XLogP1.31
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 95789268) is 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1sc2nc(COC)nc(OC)c2c1C.
What is the InChIKey of 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is FQYFAWFACCVTML-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N4O5S2/c1-10-13-15(26-4)19-12(8-25-3)20-16(13)27-14(10)17(22)21-7-5-6-11(21)9-28(23,24)18-2/h11,18H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 428.54 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 95789268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).