(5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C15H23N3O3S2 — CID 97384983

IUPAC(5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESO=S(=O)(C1CC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H23N3O3S2/c19-23(20,13-1-2-13)18-6-7-21-12-15(11-18)3-5-17(10-15)9-14-16-4-8-22-14/h4,8,13H,1-3,5-7,9-12H2/t15-/m0/s1
InChIKeySPKMEIQVVRTOMG-HNNXBMFYSA-N
MW357.50 g/mol
LogP1.16
Rot. Bonds4

About (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

(5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 97384983) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID97384983
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name(5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESO=S(=O)(C1CC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C15H23N3O3S2/c19-23(20,13-1-2-13)18-6-7-21-12-15(11-18)3-5-17(10-15)9-14-16-4-8-22-14/h4,8,13H,1-3,5-7,9-12H2/t15-/m0/s1
InChIKeySPKMEIQVVRTOMG-HNNXBMFYSA-N
XLogP1.16
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 97384983) is (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is SPKMEIQVVRTOMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c19-23(20,13-1-2-13)18-6-7-21-12-15(11-18)3-5-17(10-15)9-14-16-4-8-22-14/h4,8,13H,1-3,5-7,9-12H2/t15-/m0/s1.
What are the key properties of (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
(5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 357.50 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-cyclopropylsulfonyl-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 97384983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).