(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H28N2O4S — CID 97142136

IUPAC(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H28N2O4S/c21-16-4-8-18(13-20(16)15-2-3-15)7-1-9-19(12-18)17(22)14-5-10-25(23,24)11-6-14/h14-15H,1-13H2/t18-/m0/s1
InChIKeyOEGOPUWOYVZLQM-SFHVURJKSA-N
MW368.50 g/mol
LogP1.20
Rot. Bonds2

About (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97142136) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97142136
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H28N2O4S/c21-16-4-8-18(13-20(16)15-2-3-15)7-1-9-19(12-18)17(22)14-5-10-25(23,24)11-6-14/h14-15H,1-13H2/t18-/m0/s1
InChIKeyOEGOPUWOYVZLQM-SFHVURJKSA-N
XLogP1.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909555
9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
(6S)-2-cyclopropyl-8-(3-ethylsulfanylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97114533
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
2-cyclopropyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754239
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97149830
2-cyclopropyl-8-(5-methyl-1-propylpyrazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70744895

Frequently Asked Questions

What is the IUPAC name of (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97142136) is (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C(C1CCS(=O)(=O)CC1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OEGOPUWOYVZLQM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O4S/c21-16-4-8-18(13-20(16)15-2-3-15)7-1-9-19(12-18)17(22)14-5-10-25(23,24)11-6-14/h14-15H,1-13H2/t18-/m0/s1.
What are the key properties of (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.50 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97142136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).