N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide

C13H25N5O2S — CID 136905414

IUPACN-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC[C@@H]1CNc2ccnn2C1)S(C)(=O)=O
InChIInChI=1S/C13H25N5O2S/c1-3-17(21(2,19)20)8-4-6-14-9-12-10-15-13-5-7-16-18(13)11-12/h5,7,12,14-15H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
InChIKeyFNOSKSBTITUDFO-GFCCVEGCSA-N
MW315.44 g/mol
LogP0.19
Rot. Bonds8

About N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide (PubChem CID 136905414) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide
PubChem CID136905414
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC[C@@H]1CNc2ccnn2C1)S(C)(=O)=O
InChIInChI=1S/C13H25N5O2S/c1-3-17(21(2,19)20)8-4-6-14-9-12-10-15-13-5-7-16-18(13)11-12/h5,7,12,14-15H,3-4,6,8-11H2,1-2H3/t12-/m1/s1
InChIKeyFNOSKSBTITUDFO-GFCCVEGCSA-N
XLogP0.19
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide (CID 136905414) is N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide is CCN(CCCNC[C@@H]1CNc2ccnn2C1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide?
The InChIKey is FNOSKSBTITUDFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-3-17(21(2,19)20)8-4-6-14-9-12-10-15-13-5-7-16-18(13)11-12/h5,7,12,14-15H,3-4,6,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 136905414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).