N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide

C15H20N4O2S2 — CID 163346392

IUPACN-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
SMILESCN(C1CCN(c2ncnc3sccc23)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C15H20N4O2S2/c1-18(23(20,21)12-2-3-12)11-4-7-19(8-5-11)14-13-6-9-22-15(13)17-10-16-14/h6,9-12H,2-5,7-8H2,1H3
InChIKeyINNYJSQUMJMFJR-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.08
Rot. Bonds4

About N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide

N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide (PubChem CID 163346392) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
PubChem CID163346392
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
SMILESCN(C1CCN(c2ncnc3sccc23)CC1)S(=O)(=O)C1CC1
InChIInChI=1S/C15H20N4O2S2/c1-18(23(20,21)12-2-3-12)11-4-7-19(8-5-11)14-13-6-9-22-15(13)17-10-16-14/h6,9-12H,2-5,7-8H2,1H3
InChIKeyINNYJSQUMJMFJR-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154582771
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 165435681
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 87015920
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 44632567

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
The IUPAC name of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide (CID 163346392) is N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
The canonical SMILES for N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide is CN(C1CCN(c2ncnc3sccc23)CC1)S(=O)(=O)C1CC1.
What is the InChIKey of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
The InChIKey is INNYJSQUMJMFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-18(23(20,21)12-2-3-12)11-4-7-19(8-5-11)14-13-6-9-22-15(13)17-10-16-14/h6,9-12H,2-5,7-8H2,1H3.
What are the key properties of N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide?
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide has a molecular weight of 352.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide is sourced from PubChem (CID 163346392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).