N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide

C15H21FN4O3S — CID 124779784

IUPACN-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1
InChIInChI=1S/C15H21FN4O3S/c16-12-6-17-14(18-7-12)20-9-15(10-20)4-3-11(8-23-15)5-19-24(21,22)13-1-2-13/h6-7,11,13,19H,1-5,8-10H2/t11-/m0/s1
InChIKeySBHMIANHFMOSGU-NSHDSACASA-N
MW356.42 g/mol
LogP0.68
Rot. Bonds5

About N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide

N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 124779784) has the molecular formula C15H21FN4O3S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
PubChem CID124779784
Molecular FormulaC15H21FN4O3S
Molecular Weight356.42 g/mol
Exact Mass356.13
IUPAC NameN-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1
InChIInChI=1S/C15H21FN4O3S/c16-12-6-17-14(18-7-12)20-9-15(10-20)4-3-11(8-23-15)5-19-24(21,22)13-1-2-13/h6-7,11,13,19H,1-5,8-10H2/t11-/m0/s1
InChIKeySBHMIANHFMOSGU-NSHDSACASA-N
XLogP0.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide (CID 124779784) is N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@@H]1CCC2(CN(c3ncc(F)cn3)C2)OC1)C1CC1.
What is the InChIKey of N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is SBHMIANHFMOSGU-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN4O3S/c16-12-6-17-14(18-7-12)20-9-15(10-20)4-3-11(8-23-15)5-19-24(21,22)13-1-2-13/h6-7,11,13,19H,1-5,8-10H2/t11-/m0/s1.
What are the key properties of N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 356.42 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 124779784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).