(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide

C14H20N4O2S2 — CID 100640119

IUPAC(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCc1csc2c(N3CC[C@@H](S(=O)(=O)NC(C)C)C3)ncnc12
InChIInChI=1S/C14H20N4O2S2/c1-9(2)17-22(19,20)11-4-5-18(6-11)14-13-12(15-8-16-14)10(3)7-21-13/h7-9,11,17H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyIGKJQVMEDFPROK-LLVKDONJSA-N
MW340.47 g/mol
LogP1.91
Rot. Bonds4

About (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide

(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 100640119) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID100640119
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCc1csc2c(N3CC[C@@H](S(=O)(=O)NC(C)C)C3)ncnc12
InChIInChI=1S/C14H20N4O2S2/c1-9(2)17-22(19,20)11-4-5-18(6-11)14-13-12(15-8-16-14)10(3)7-21-13/h7-9,11,17H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyIGKJQVMEDFPROK-LLVKDONJSA-N
XLogP1.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 100640119) is (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide is Cc1csc2c(N3CC[C@@H](S(=O)(=O)NC(C)C)C3)ncnc12.
What is the InChIKey of (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is IGKJQVMEDFPROK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-9(2)17-22(19,20)11-4-5-18(6-11)14-13-12(15-8-16-14)10(3)7-21-13/h7-9,11,17H,4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
(3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 100640119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).