N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide

C15H26N4O3S — CID 124809692

IUPACN-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
SMILESCc1cc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)n(C)n1
InChIInChI=1S/C15H26N4O3S/c1-12-6-14(18(2)17-12)8-19-10-15(11-19)5-4-13(9-22-15)7-16-23(3,20)21/h6,13,16H,4-5,7-11H2,1-3H3/t13-/m1/s1
InChIKeyLFSKIKVRDUKTIW-CYBMUJFWSA-N
MW342.47 g/mol
LogP0.26
Rot. Bonds5

About N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide

N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide (PubChem CID 124809692) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
PubChem CID124809692
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
SMILESCc1cc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)n(C)n1
InChIInChI=1S/C15H26N4O3S/c1-12-6-14(18(2)17-12)8-19-10-15(11-19)5-4-13(9-22-15)7-16-23(3,20)21/h6,13,16H,4-5,7-11H2,1-3H3/t13-/m1/s1
InChIKeyLFSKIKVRDUKTIW-CYBMUJFWSA-N
XLogP0.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(4-ethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 131677615
N-[[2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155836183
N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 171692919
N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 131677501
N-[[(7S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124808651
(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124812434
N-[[(7S)-2-(pyridine-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783221
N-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779262
N-[[(7R)-2-(furan-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783408
N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779919
N,N-dimethyl-1-[2-[(4-methylsulfonylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methanamine
CID 131659694
2-[[(3R)-8-[(2,5-dimethylpyrazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97394924

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide (CID 124809692) is N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide is Cc1cc(CN2CC3(CC[C@H](CNS(C)(=O)=O)CO3)C2)n(C)n1.
What is the InChIKey of N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
The InChIKey is LFSKIKVRDUKTIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-12-6-14(18(2)17-12)8-19-10-15(11-19)5-4-13(9-22-15)7-16-23(3,20)21/h6,13,16H,4-5,7-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide?
N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124809692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).