N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

C14H28N2O2S — CID 139427235

IUPACN-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)COC2(CCNCC2)[C@@H]1NS(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2S/c1-12(2,3)19(17)16-11-13(4,5)10-18-14(11)6-8-15-9-7-14/h11,15-16H,6-10H2,1-5H3/t11-,19?/m1/s1
InChIKeyXBSQNOHQABSODN-AMIJKRQISA-N
MW288.46 g/mol
LogP1.59
Rot. Bonds2

About N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide

N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 139427235) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID139427235
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC1(C)COC2(CCNCC2)[C@@H]1NS(=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2S/c1-12(2,3)19(17)16-11-13(4,5)10-18-14(11)6-8-15-9-7-14/h11,15-16H,6-10H2,1-5H3/t11-,19?/m1/s1
InChIKeyXBSQNOHQABSODN-AMIJKRQISA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide (CID 139427235) is N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is CC1(C)COC2(CCNCC2)[C@@H]1NS(=O)C(C)(C)C.
What is the InChIKey of N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XBSQNOHQABSODN-AMIJKRQISA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2,3)19(17)16-11-13(4,5)10-18-14(11)6-8-15-9-7-14/h11,15-16H,6-10H2,1-5H3/t11-,19?/m1/s1.
What are the key properties of N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide?
N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 288.46 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139427235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).