2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine

C15H21N5O2S — CID 175750754

IUPAC2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCCS(=O)(=O)N1CCC12CCN(c1ncc3cc[nH]c3n1)C2
InChIInChI=1S/C15H21N5O2S/c1-2-9-23(21,22)20-8-5-15(20)4-7-19(11-15)14-17-10-12-3-6-16-13(12)18-14/h3,6,10H,2,4-5,7-9,11H2,1H3,(H,16,17,18)
InChIKeyIJMSXKXXUKMUSG-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.35
Rot. Bonds4

About 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine

2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 175750754) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID175750754
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCCS(=O)(=O)N1CCC12CCN(c1ncc3cc[nH]c3n1)C2
InChIInChI=1S/C15H21N5O2S/c1-2-9-23(21,22)20-8-5-15(20)4-7-19(11-15)14-17-10-12-3-6-16-13(12)18-14/h3,6,10H,2,4-5,7-9,11H2,1H3,(H,16,17,18)
InChIKeyIJMSXKXXUKMUSG-UHFFFAOYSA-N
XLogP1.35
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

2-[3a-methyl-1-(2,2,2-trifluoroethylsulfonyl)-2,3,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 175882391
N-methyl-N-[(1-propylsulfonylpyrrolidin-3-yl)methyl]-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide
CID 57411294
4-(1-propylsulfanyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167097568
methyl 7H-pyrrolo[2,3-d]pyrimidin-2-ylmethanesulfonate
CID 141106412
5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 166434782
N-methyl-N-[(7R)-5-propylsulfonyl-5-azaspiro[2.4]heptan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118911566
N-(2-morpholin-4-ylpyrimidin-5-yl)propane-1-sulfonamide
CID 71790207
CID 156713720
CID 156713720
1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46234561
N-[(4-methoxyphenyl)methyl]-N-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide
CID 118649778
N-(azetidin-3-yl)-N-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide
CID 118649761
3-methylsulfonylpropyl-[[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]sulfonyl]carbamic acid
CID 121267541

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 175750754) is 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCCS(=O)(=O)N1CCC12CCN(c1ncc3cc[nH]c3n1)C2.
What is the InChIKey of 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is IJMSXKXXUKMUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-2-9-23(21,22)20-8-5-15(20)4-7-19(11-15)14-17-10-12-3-6-16-13(12)18-14/h3,6,10H,2,4-5,7-9,11H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylsulfonyl-1,7-diazaspiro[3.4]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 175750754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).