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N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide

C15H21N5O2S — CID 118868734

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CNS(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H21N5O2S/c1-20(15-13-4-5-16-14(13)17-9-18-15)11-6-10(7-11)8-19-23(21,22)12-2-3-12/h4-5,9-12,19H,2-3,6-8H2,1H3,(H,16,17,18)
InChIKeyQVVIEDMLDFLSHN-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.25
Rot. Bonds6

About N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide

N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide (PubChem CID 118868734) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
PubChem CID118868734
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CNS(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H21N5O2S/c1-20(15-13-4-5-16-14(13)17-9-18-15)11-6-10(7-11)8-19-23(21,22)12-2-3-12/h4-5,9-12,19H,2-3,6-8H2,1H3,(H,16,17,18)
InChIKeyQVVIEDMLDFLSHN-UHFFFAOYSA-N
XLogP1.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide (CID 118868734) is N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide is CN(c1ncnc2[nH]ccc12)C1CC(CNS(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide?
The InChIKey is QVVIEDMLDFLSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-20(15-13-4-5-16-14(13)17-9-18-15)11-6-10(7-11)8-19-23(21,22)12-2-3-12/h4-5,9-12,19H,2-3,6-8H2,1H3,(H,16,17,18).
What are the key properties of N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide?
N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 118868734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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