N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide

C9H12N4O2S2 — CID 102675352

IUPACN-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncnc2ccsc12
InChIInChI=1S/C9H12N4O2S2/c1-10-17(14,15)5-3-11-9-8-7(2-4-16-8)12-6-13-9/h2,4,6,10H,3,5H2,1H3,(H,11,12,13)
InChIKeyFZYPHGRNZGOPOM-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.65
Rot. Bonds5

About N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide

N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide (PubChem CID 102675352) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
PubChem CID102675352
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC NameN-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ncnc2ccsc12
InChIInChI=1S/C9H12N4O2S2/c1-10-17(14,15)5-3-11-9-8-7(2-4-16-8)12-6-13-9/h2,4,6,10H,3,5H2,1H3,(H,11,12,13)
InChIKeyFZYPHGRNZGOPOM-UHFFFAOYSA-N
XLogP0.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N',N'-diethyl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 43236110
N-pent-4-ynylthieno[3,2-d]pyrimidin-4-amine
CID 103704438
N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 54943655
N-[2-(1-methylpiperidin-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 115599545
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 63330100
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide
CID 113257850
N'-methyl-N'-phenyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 43236143
1-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutane-1-sulfonamide
CID 154779770

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide (CID 102675352) is N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide is CNS(=O)(=O)CCNc1ncnc2ccsc12.
What is the InChIKey of N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide?
The InChIKey is FZYPHGRNZGOPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-10-17(14,15)5-3-11-9-8-7(2-4-16-8)12-6-13-9/h2,4,6,10H,3,5H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide?
N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanesulfonamide is sourced from PubChem (CID 102675352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).