4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

C16H27N3O3S — CID 166285058

IUPAC4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCSCC1(CCNC(=O)N2CCC3(C2)OC(=O)NC3(C)C)CC1
InChIInChI=1S/C16H27N3O3S/c1-14(2)16(22-13(21)18-14)7-9-19(10-16)12(20)17-8-6-15(4-5-15)11-23-3/h4-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQSTGZYPDRJLMTI-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.19
Rot. Bonds5

About 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 166285058) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID166285058
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCSCC1(CCNC(=O)N2CCC3(C2)OC(=O)NC3(C)C)CC1
InChIInChI=1S/C16H27N3O3S/c1-14(2)16(22-13(21)18-14)7-9-19(10-16)12(20)17-8-6-15(4-5-15)11-23-3/h4-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQSTGZYPDRJLMTI-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (CID 166285058) is 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is CSCC1(CCNC(=O)N2CCC3(C2)OC(=O)NC3(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is QSTGZYPDRJLMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-14(2)16(22-13(21)18-14)7-9-19(10-16)12(20)17-8-6-15(4-5-15)11-23-3/h4-11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-[1-(methylsulfanylmethyl)cyclopropyl]ethyl]-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 166285058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).