N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide

C12H23N3O3S2 — CID 136819697

IUPACN-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(C/N=C1/NC2(CCOCC2)CS1)NS(C)(=O)=O
InChIInChI=1S/C12H23N3O3S2/c1-11(2,15-20(3,16)17)8-13-10-14-12(9-19-10)4-6-18-7-5-12/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyYRPVDAPYSUZGNF-UHFFFAOYSA-N
MW321.47 g/mol
LogP0.56
Rot. Bonds4

About N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide (PubChem CID 136819697) has the molecular formula C12H23N3O3S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide
PubChem CID136819697
Molecular FormulaC12H23N3O3S2
Molecular Weight321.47 g/mol
Exact Mass321.12
IUPAC NameN-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(C/N=C1/NC2(CCOCC2)CS1)NS(C)(=O)=O
InChIInChI=1S/C12H23N3O3S2/c1-11(2,15-20(3,16)17)8-13-10-14-12(9-19-10)4-6-18-7-5-12/h15H,4-9H2,1-3H3,(H,13,14)
InChIKeyYRPVDAPYSUZGNF-UHFFFAOYSA-N
XLogP0.56
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide (CID 136819697) is N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide is CC(C)(C/N=C1/NC2(CCOCC2)CS1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide?
The InChIKey is YRPVDAPYSUZGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S2/c1-11(2,15-20(3,16)17)8-13-10-14-12(9-19-10)4-6-18-7-5-12/h15H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide has a molecular weight of 321.47 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 136819697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).