N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide

C15H22N4O2S2 — CID 133491144

IUPACN-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
SMILESCc1nc(NCC2CCCC2NS(C)(=O)=O)c2c(C)csc2n1
InChIInChI=1S/C15H22N4O2S2/c1-9-8-22-15-13(9)14(17-10(2)18-15)16-7-11-5-4-6-12(11)19-23(3,20)21/h8,11-12,19H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyCACYDQFJPXHSKV-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide

N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide (PubChem CID 133491144) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
PubChem CID133491144
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide
SMILESCc1nc(NCC2CCCC2NS(C)(=O)=O)c2c(C)csc2n1
InChIInChI=1S/C15H22N4O2S2/c1-9-8-22-15-13(9)14(17-10(2)18-15)16-7-11-5-4-6-12(11)19-23(3,20)21/h8,11-12,19H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyCACYDQFJPXHSKV-UHFFFAOYSA-N
XLogP2.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide (CID 133491144) is N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide is Cc1nc(NCC2CCCC2NS(C)(=O)=O)c2c(C)csc2n1.
What is the InChIKey of N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
The InChIKey is CACYDQFJPXHSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-9-8-22-15-13(9)14(17-10(2)18-15)16-7-11-5-4-6-12(11)19-23(3,20)21/h8,11-12,19H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide?
N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 133491144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).