7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine

C20H32N4O3S — CID 169143924

IUPAC7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N1CCC2(CC1)CC(NC1CCOCC1)C2
InChIInChI=1S/C20H32N4O3S/c1-23-19(12-18(22-23)15-2-3-15)28(25,26)24-8-6-20(7-9-24)13-17(14-20)21-16-4-10-27-11-5-16/h12,15-17,21H,2-11,13-14H2,1H3
InChIKeyIPHYSLJOAKNQGD-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.00
Rot. Bonds5

About 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine

7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 169143924) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID169143924
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N1CCC2(CC1)CC(NC1CCOCC1)C2
InChIInChI=1S/C20H32N4O3S/c1-23-19(12-18(22-23)15-2-3-15)28(25,26)24-8-6-20(7-9-24)13-17(14-20)21-16-4-10-27-11-5-16/h12,15-17,21H,2-11,13-14H2,1H3
InChIKeyIPHYSLJOAKNQGD-UHFFFAOYSA-N
XLogP2.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175980942
(4aR,7aS)-4-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazine
CID 166259306
6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144006
4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 170738148
4-[(6S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173548
4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173595
3-[7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176884219
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
(3S,3aS,5S,6aS)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-2-(oxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 170731414
1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-4-(oxan-4-ylmethyl)piperazine
CID 170144144
N-[[1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-3-ethylazetidin-3-yl]methyl]oxan-4-amine
CID 169161414
2-[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]sulfonyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine
CID 170738164

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine (CID 169143924) is 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine is Cn1nc(C2CC2)cc1S(=O)(=O)N1CCC2(CC1)CC(NC1CCOCC1)C2.
What is the InChIKey of 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is IPHYSLJOAKNQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-23-19(12-18(22-23)15-2-3-15)28(25,26)24-8-6-20(7-9-24)13-17(14-20)21-16-4-10-27-11-5-16/h12,15-17,21H,2-11,13-14H2,1H3.
What are the key properties of 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine?
7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 408.57 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 169143924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).