(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C14H22N4O2S — CID 97450240

IUPAC(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CC[C@]2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H22N4O2S/c1-2-21(19,20)18-10-6-14(12-18)5-3-9-17(11-14)13-15-7-4-8-16-13/h4,7-8H,2-3,5-6,9-12H2,1H3/t14-/m0/s1
InChIKeyDRBDABWEWYXSFO-AWEZNQCLSA-N
MW310.42 g/mol
LogP1.12
Rot. Bonds3

About (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 97450240) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID97450240
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESCCS(=O)(=O)N1CC[C@]2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C14H22N4O2S/c1-2-21(19,20)18-10-6-14(12-18)5-3-9-17(11-14)13-15-7-4-8-16-13/h4,7-8H,2-3,5-6,9-12H2,1H3/t14-/m0/s1
InChIKeyDRBDABWEWYXSFO-AWEZNQCLSA-N
XLogP1.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(Methylsulfonyl)-2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecane
CID 3232716
7-Methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233832
(5S)-7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3235014
1-Methylsulfonyl-2-(1-pyrimidin-2-ylpiperidin-4-yl)azepane
CID 53604068
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
(3aR,8aR)-2-ethyl-6-pyrimidin-2-yl-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 97441068
(3aR,8aR)-2-(2-methylpropyl)-6-pyrimidin-2-yl-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine 1,1-dioxide
CID 97441138
8-(Cyclopentylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449515
7-Cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640
9-(5-Fluoropyrimidin-2-yl)-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 118739083
2-Cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739084

Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 97450240) is (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is CCS(=O)(=O)N1CC[C@]2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is DRBDABWEWYXSFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-21(19,20)18-10-6-14(12-18)5-3-9-17(11-14)13-15-7-4-8-16-13/h4,7-8H,2-3,5-6,9-12H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 310.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97450240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).