N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine

C17H21N5O2S — CID 155901000

IUPACN-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
SMILESCc1cc(NC2CC3(CCN(S(=O)(=O)c4cccnc4)C3)C2)ncn1
InChIInChI=1S/C17H21N5O2S/c1-13-7-16(20-12-19-13)21-14-8-17(9-14)4-6-22(11-17)25(23,24)15-3-2-5-18-10-15/h2-3,5,7,10,12,14H,4,6,8-9,11H2,1H3,(H,19,20,21)
InChIKeyOUTPMHFSYRZPMC-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.84
Rot. Bonds4

About N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine

N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine (PubChem CID 155901000) has the molecular formula C17H21N5O2S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
PubChem CID155901000
Molecular FormulaC17H21N5O2S
Molecular Weight359.45 g/mol
Exact Mass359.14
IUPAC NameN-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine
SMILESCc1cc(NC2CC3(CCN(S(=O)(=O)c4cccnc4)C3)C2)ncn1
InChIInChI=1S/C17H21N5O2S/c1-13-7-16(20-12-19-13)21-14-8-17(9-14)4-6-22(11-17)25(23,24)15-3-2-5-18-10-15/h2-3,5,7,10,12,14H,4,6,8-9,11H2,1H3,(H,19,20,21)
InChIKeyOUTPMHFSYRZPMC-UHFFFAOYSA-N
XLogP1.84
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine with MolForge

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Related Compounds

2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
2-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120718656
6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139352
3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490
6-methyl-N-[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887672
N-[4-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 171336337
6-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)pyrimidin-4-amine
CID 90249167
N-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887603
(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
2-methyl-6-(1-pyridin-3-ylsulfonylazetidin-3-yl)oxypyridine
CID 122249733
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
6-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 16876383

Frequently Asked Questions

What is the IUPAC name of N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine (CID 155901000) is N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine is Cc1cc(NC2CC3(CCN(S(=O)(=O)c4cccnc4)C3)C2)ncn1.
What is the InChIKey of N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine?
The InChIKey is OUTPMHFSYRZPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-13-7-16(20-12-19-13)21-14-8-17(9-14)4-6-22(11-17)25(23,24)15-3-2-5-18-10-15/h2-3,5,7,10,12,14H,4,6,8-9,11H2,1H3,(H,19,20,21).
What are the key properties of N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine?
N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine has a molecular weight of 359.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylpyrimidin-4-yl)-6-pyridin-3-ylsulfonyl-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 155901000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).