2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol

C9H20N2O2S — CID 164648426

IUPAC2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol
SMILES[H]N=S(=O)(NC1CC(O)C1(C)C)C(C)C
InChIInChI=1S/C9H20N2O2S/c1-6(2)14(10,13)11-7-5-8(12)9(7,3)4/h6-8,12H,5H2,1-4H3,(H2,10,11,13)
InChIKeyHLYQIOCDHLYXLS-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.11
Rot. Bonds3

About 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol (PubChem CID 164648426) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol
PubChem CID164648426
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol
SMILES[H]N=S(=O)(NC1CC(O)C1(C)C)C(C)C
InChIInChI=1S/C9H20N2O2S/c1-6(2)14(10,13)11-7-5-8(12)9(7,3)4/h6-8,12H,5H2,1-4H3,(H2,10,11,13)
InChIKeyHLYQIOCDHLYXLS-UHFFFAOYSA-N
XLogP1.11
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,1'S,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999218
(2R,1'R,3'R)-N-(1-tert-Butyl-3-hydroxypentyl)-2-methylpropane-2-sulfinamide
CID 50999219
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 113610357
N-[(3S,5S)-5-hydroxy-2,6,6-trimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487465
N-[(3R,5S)-5-hydroxy-6,6-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487522
N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487636
N-[(3S,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 53487637
(S)-N-[(3S,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 93982120
(S)-N-[(3R,5R)-5-hydroxy-2,2-dimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 93982132
N-[(3R,5S)-5-hydroxy-2,2,6,6-tetramethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 101755522
N-[(3R,5S)-5-hydroxy-2,2,6-trimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 101755523
N-[(3R,5S)-5-hydroxy-2,6,6-trimethylheptan-3-yl]-2-methylpropane-2-sulfinamide
CID 101755525

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol (CID 164648426) is 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol is [H]N=S(=O)(NC1CC(O)C1(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol?
The InChIKey is HLYQIOCDHLYXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-6(2)14(10,13)11-7-5-8(12)9(7,3)4/h6-8,12H,5H2,1-4H3,(H2,10,11,13).
What are the key properties of 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol has a molecular weight of 220.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(propan-2-ylsulfonimidoyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 164648426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).