N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine

C13H16N4O2S2 — CID 62157440

IUPACN-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCc3sccc3C2C)cn1
InChIInChI=1S/C13H16N4O2S2/c1-9-11-4-6-20-12(11)3-5-17(9)21(18,19)10-7-15-13(14-2)16-8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyCCCHVYDCEUGDES-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.89
Rot. Bonds3

About N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine

N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine (PubChem CID 62157440) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine
PubChem CID62157440
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCc3sccc3C2C)cn1
InChIInChI=1S/C13H16N4O2S2/c1-9-11-4-6-20-12(11)3-5-17(9)21(18,19)10-7-15-13(14-2)16-8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyCCCHVYDCEUGDES-UHFFFAOYSA-N
XLogP1.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine with MolForge

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Related Compounds

(4S)-5-(4-methoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 38259146
(4R)-5-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 41187095
5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 83085545
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]furan-2-carboxylic acid
CID 61041596
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine
CID 47141640
4-fluoro-3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]aniline
CID 61127204
N-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 114596495
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62164699
4-chloro-N-methyl-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3,5-triazin-2-amine
CID 80815263
4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]-N-methylbenzamide
CID 51263474
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62152943
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62158231

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine (CID 62157440) is N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine is CNc1ncc(S(=O)(=O)N2CCc3sccc3C2C)cn1.
What is the InChIKey of N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine?
The InChIKey is CCCHVYDCEUGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-9-11-4-6-20-12(11)3-5-17(9)21(18,19)10-7-15-13(14-2)16-8-10/h4,6-9H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine?
N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine is sourced from PubChem (CID 62157440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).