(4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide

C8H13F2NO2S — CID 97112262

IUPAC(4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](C(F)F)[C@@]12CCNC2
InChIInChI=1S/C8H13F2NO2S/c9-7(10)6-1-4-14(12,13)8(6)2-3-11-5-8/h6-7,11H,1-5H2/t6-,8-/m0/s1
InChIKeyOMIRRCXEDPUUPK-XPUUQOCRSA-N
MW225.26 g/mol
LogP0.42
Rot. Bonds1

About (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide

(4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide (PubChem CID 97112262) has the molecular formula C8H13F2NO2S and a molecular weight of 225.26 g/mol. Its IUPAC name is (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide.

Molecular Properties

Compound Name(4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
PubChem CID97112262
Molecular FormulaC8H13F2NO2S
Molecular Weight225.26 g/mol
Exact Mass225.06
IUPAC Name(4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
SMILESO=S1(=O)CC[C@@H](C(F)F)[C@@]12CCNC2
InChIInChI=1S/C8H13F2NO2S/c9-7(10)6-1-4-14(12,13)8(6)2-3-11-5-8/h6-7,11H,1-5H2/t6-,8-/m0/s1
InChIKeyOMIRRCXEDPUUPK-XPUUQOCRSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide with MolForge

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Related Compounds

1Lambda6-thia-7-azaspiro(4.4)nonane-1,1-dione hydrochloride
CID 126835881
1Lambda6-thia-7-azaspiro[4.4]nonane-1,1-dione
CID 105436280
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
4-(Difluoromethyl)-1lambda6-thia-9-azaspiro[4.6]undecane 1,1-dioxide
CID 71305913
4-(Difluoromethyl)-1lambda6-thia-8-azaspiro[4.5]decane 1,1-dioxide
CID 71306011
4-(Difluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306075
4-(Fluoromethyl)-1lambda~6~-thia-8-azaspiro[4.5]decane-1,1-dione
CID 71306082
4-(Fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306124
4-(Difluoromethyl)-1-thia-7-azaspiro[4.4]nonane
CID 71306166
(4S,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112361
(4S,5S)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112362
(4R,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112363

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
The IUPAC name of (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide (CID 97112262) is (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide.
What is the SMILES notation for (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
The canonical SMILES for (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide is O=S1(=O)CC[C@@H](C(F)F)[C@@]12CCNC2.
What is the InChIKey of (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
The InChIKey is OMIRRCXEDPUUPK-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H13F2NO2S/c9-7(10)6-1-4-14(12,13)8(6)2-3-11-5-8/h6-7,11H,1-5H2/t6-,8-/m0/s1.
What are the key properties of (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide?
(4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide has a molecular weight of 225.26 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(difluoromethyl)-1λ6-thia-7-azaspiro[4.4]nonane 1,1-dioxide is sourced from PubChem (CID 97112262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).