(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide

C10H18O2S — CID 167079487

IUPAC(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide
SMILESCC(C)[C@@H]1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C10H18O2S/c1-8(2)9-7-10(9)3-5-13(11,12)6-4-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyGHWHQQIMSXXIBR-VIFPVBQESA-N
MW202.32 g/mol
LogP1.86
Rot. Bonds1

About (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide

(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide (PubChem CID 167079487) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide
PubChem CID167079487
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide
SMILESCC(C)[C@@H]1CC12CCS(=O)(=O)CC2
InChIInChI=1S/C10H18O2S/c1-8(2)9-7-10(9)3-5-13(11,12)6-4-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyGHWHQQIMSXXIBR-VIFPVBQESA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide
CID 176625279
6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-amine;hydrochloride
CID 134828352
(1R)-1-spiro[2.2]pentan-2-ylethanamine
CID 164643941
1-spiro[2.2]pentan-2-ylethanamine
CID 130955875
(1R)-1-[(2R)-spiro[2.2]pentan-2-yl]ethanol
CID 131155650
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carboxamide
CID 136581169
4-methyl-1,1-dioxo-N-propan-2-ylthian-4-amine
CID 146946507
4-(1-aminoethyl)-1,1-dioxothian-4-ol
CID 105447453
2-methyl-1-spiro[2.2]pentan-2-ylpropan-1-ol
CID 126971945
9-propan-2-ylspiro[3.5]nonane
CID 140652255
(4-methyl-1,1-dioxothian-4-yl)methanol
CID 129107203
4-methyl-1,1-dioxothian-4-ol
CID 58387715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The IUPAC name of (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide (CID 167079487) is (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide.
What is the SMILES notation for (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The canonical SMILES for (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide is CC(C)[C@@H]1CC12CCS(=O)(=O)CC2.
What is the InChIKey of (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
The InChIKey is GHWHQQIMSXXIBR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O2S/c1-8(2)9-7-10(9)3-5-13(11,12)6-4-10/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide?
(2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide has a molecular weight of 202.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-6λ6-thiaspiro[2.5]octane 6,6-dioxide is sourced from PubChem (CID 167079487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).