(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]

C19H27N5O3S — CID 92590187

IUPAC(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@]3(C2)OCCc2cnc(C(C)C)nc23)cn1
InChIInChI=1S/C19H27N5O3S/c1-4-23-12-16(11-21-23)28(25,26)24-8-5-7-19(13-24)17-15(6-9-27-19)10-20-18(22-17)14(2)3/h10-12,14H,4-9,13H2,1-3H3/t19-/m0/s1
InChIKeyICXUHMAGDPLPQA-IBGZPJMESA-N
MW405.52 g/mol
LogP2.07
Rot. Bonds4

About (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]

(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] (PubChem CID 92590187) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine].

Molecular Properties

Compound Name(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
PubChem CID92590187
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@]3(C2)OCCc2cnc(C(C)C)nc23)cn1
InChIInChI=1S/C19H27N5O3S/c1-4-23-12-16(11-21-23)28(25,26)24-8-5-7-19(13-24)17-15(6-9-27-19)10-20-18(22-17)14(2)3/h10-12,14H,4-9,13H2,1-3H3/t19-/m0/s1
InChIKeyICXUHMAGDPLPQA-IBGZPJMESA-N
XLogP2.07
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] with MolForge

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Related Compounds

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CID 110224054
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CID 92589782
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4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 71855169
5-(1-ethylpyrazol-4-yl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201452
4-[(1R,5R)-3-(1-ethylpyrazol-4-yl)sulfonyl-3-azabicyclo[3.3.1]nonan-9-yl]morpholine
CID 98137739
1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
CID 56903815
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CID 131947966
(2R)-1-(cyclopropylmethyl)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-yl-1,4-diazepane
CID 95556038
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 154906899
1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine
CID 131907176
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92590167

Frequently Asked Questions

What is the IUPAC name of (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The IUPAC name of (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] (CID 92590187) is (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine].
What is the SMILES notation for (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The canonical SMILES for (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] is CCn1cc(S(=O)(=O)N2CCC[C@@]3(C2)OCCc2cnc(C(C)C)nc23)cn1.
What is the InChIKey of (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
The InChIKey is ICXUHMAGDPLPQA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-4-23-12-16(11-21-23)28(25,26)24-8-5-7-19(13-24)17-15(6-9-27-19)10-20-18(22-17)14(2)3/h10-12,14H,4-9,13H2,1-3H3/t19-/m0/s1.
What are the key properties of (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine]?
(8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] has a molecular weight of 405.52 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1'-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-ylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,3'-piperidine] is sourced from PubChem (CID 92590187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).