N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide

C14H20N4O2S2 — CID 70727037

IUPACN-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(c2ncnc3sccc23)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H20N4O2S2/c1-3-4-10-7-18(8-12(10)17-22(2,19)20)13-11-5-6-21-14(11)16-9-15-13/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyZMHRSZAIBTZYCX-ZYHUDNBSSA-N
MW340.47 g/mol
LogP1.85
Rot. Bonds5

About N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70727037) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70727037
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@@H]1CN(c2ncnc3sccc23)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C14H20N4O2S2/c1-3-4-10-7-18(8-12(10)17-22(2,19)20)13-11-5-6-21-14(11)16-9-15-13/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyZMHRSZAIBTZYCX-ZYHUDNBSSA-N
XLogP1.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide (CID 70727037) is N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide is CCC[C@@H]1CN(c2ncnc3sccc23)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ZMHRSZAIBTZYCX-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-3-4-10-7-18(8-12(10)17-22(2,19)20)13-11-5-6-21-14(11)16-9-15-13/h5-6,9-10,12,17H,3-4,7-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70727037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).