(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

C18H30N4O2S2 — CID 142826216

IUPAC(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC[C@H]1SC2(CCNCC2)N(CC[C@@H]2SC3(CCNCC3)NC2=O)C1=O
InChIInChI=1S/C18H30N4O2S2/c1-2-13-16(24)22(18(26-13)6-10-20-11-7-18)12-3-14-15(23)21-17(25-14)4-8-19-9-5-17/h13-14,19-20H,2-12H2,1H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyOJDCIQFMQSRWNS-KGLIPLIRSA-N
MW398.60 g/mol
LogP1.12
Rot. Bonds4

About (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 142826216) has the molecular formula C18H30N4O2S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID142826216
Molecular FormulaC18H30N4O2S2
Molecular Weight398.60 g/mol
Exact Mass398.18
IUPAC Name(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC[C@H]1SC2(CCNCC2)N(CC[C@@H]2SC3(CCNCC3)NC2=O)C1=O
InChIInChI=1S/C18H30N4O2S2/c1-2-13-16(24)22(18(26-13)6-10-20-11-7-18)12-3-14-15(23)21-17(25-14)4-8-19-9-5-17/h13-14,19-20H,2-12H2,1H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyOJDCIQFMQSRWNS-KGLIPLIRSA-N
XLogP1.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154731017
2-ethyl-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;hydrate
CID 174160296
2-ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097515
4-methyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 18738820
2-ethyl-1-thia-4,8-diazaspiro[4.5]decane
CID 167067647
3-ethyl-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 135240843
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 176953118
1-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 83880171
(5S,7aR)-5-(5-bromo-3-pyridinyl)spiro[5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-2,4'-piperidine]-3-one
CID 168761757
4-amino-6-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 114510778
4,8-dimethyl-2-(2-oxopentyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 18738818
2-[8-(2,2-dimethylpropanoyloxy)-4-dodecyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]acetic acid
CID 15955386

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 142826216) is (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC[C@H]1SC2(CCNCC2)N(CC[C@@H]2SC3(CCNCC3)NC2=O)C1=O.
What is the InChIKey of (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OJDCIQFMQSRWNS-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H30N4O2S2/c1-2-13-16(24)22(18(26-13)6-10-20-11-7-18)12-3-14-15(23)21-17(25-14)4-8-19-9-5-17/h13-14,19-20H,2-12H2,1H3,(H,21,23)/t13-,14+/m1/s1.
What are the key properties of (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one?
(2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 398.60 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-[2-[(2S)-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-2-yl]ethyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 142826216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).