6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine

C17H26N4O2S — CID 110139352

IUPAC6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
SMILESO=S(=O)(C1CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1
InChIInChI=1S/C17H26N4O2S/c22-24(23,15-4-2-1-3-5-15)21-9-7-17(12-21)10-14(11-17)20-16-6-8-18-13-19-16/h6,8,13-15H,1-5,7,9-12H2,(H,18,19,20)
InChIKeyDZNQBBWDFFUUJD-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.41
Rot. Bonds4

About 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine

6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine (PubChem CID 110139352) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound Name6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
PubChem CID110139352
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
SMILESO=S(=O)(C1CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1
InChIInChI=1S/C17H26N4O2S/c22-24(23,15-4-2-1-3-5-15)21-9-7-17(12-21)10-14(11-17)20-16-6-8-18-13-19-16/h6,8,13-15H,1-5,7,9-12H2,(H,18,19,20)
InChIKeyDZNQBBWDFFUUJD-UHFFFAOYSA-N
XLogP2.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-2-methylpyrimidin-4-amine
CID 72866042
2-[(3R,4S)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-4-(ethylamino)pyrimidine
CID 72931711
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 110259041
2-Cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118744483
N~4~-methyl-N~2~-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrimidine-2,4-diamine
CID 50950229
N-[(3R*,4S*)-4-isopropyl-1-(propylsulfonyl)-3-pyrrolidinyl]-2-pyrimidinamine
CID 72868766
N-[rel-(3R,4S)-1-(4-amino-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]methanesulfonamide hydrochloride
CID 72885861
(4aR,7aS)-4-[2-(2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine 6,6-dioxide
CID 164632221
US10370375, Example 11
CID 126609157
US10370375, Example 16
CID 126609160
N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine
CID 98894609
(4aR*,7aS*)-1-[2-(2-azaspiro[4.4]non-2-yl)pyrimidin-4-yl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70715466

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine (CID 110139352) is 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine is O=S(=O)(C1CCCCC1)N1CCC2(CC(Nc3ccncn3)C2)C1.
What is the InChIKey of 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
The InChIKey is DZNQBBWDFFUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c22-24(23,15-4-2-1-3-5-15)21-9-7-17(12-21)10-14(11-17)20-16-6-8-18-13-19-16/h6,8,13-15H,1-5,7,9-12H2,(H,18,19,20).
What are the key properties of 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine?
6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine has a molecular weight of 350.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfonyl-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 110139352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).