2-methyl-2-(oxan-2-yl)propane-1-sulfinamide

C9H19NO2S — CID 165459159

IUPAC2-methyl-2-(oxan-2-yl)propane-1-sulfinamide
SMILESCC(C)(CS(N)=O)C1CCCCO1
InChIInChI=1S/C9H19NO2S/c1-9(2,7-13(10)11)8-5-3-4-6-12-8/h8H,3-7,10H2,1-2H3
InChIKeyBASFTIAKRUEVPT-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.20
Rot. Bonds3

About 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide

2-methyl-2-(oxan-2-yl)propane-1-sulfinamide (PubChem CID 165459159) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-2-yl)propane-1-sulfinamide
PubChem CID165459159
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-2-(oxan-2-yl)propane-1-sulfinamide
SMILESCC(C)(CS(N)=O)C1CCCCO1
InChIInChI=1S/C9H19NO2S/c1-9(2,7-13(10)11)8-5-3-4-6-12-8/h8H,3-7,10H2,1-2H3
InChIKeyBASFTIAKRUEVPT-UHFFFAOYSA-N
XLogP1.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyloxane
CID 118633229
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
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CID 124670962
2-(2-methylsulfinylethoxy)oxane
CID 139397304
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845
2-[2,3,4-trimethyl-2-(oxan-3-yl)-4-(oxan-4-yl)pentan-3-yl]oxane
CID 134256683
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720
tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
CID 129368356
1,1-dimethyl-3-[2-[[2-methyl-2-(oxan-2-yl)propyl]sulfonylamino]ethyl]urea
CID 136558897
2-[(3S)-2,3-dimethylpent-4-yn-2-yl]oxane
CID 102047896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide?
The IUPAC name of 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide (CID 165459159) is 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide.
What is the SMILES notation for 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide?
The canonical SMILES for 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide is CC(C)(CS(N)=O)C1CCCCO1.
What is the InChIKey of 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide?
The InChIKey is BASFTIAKRUEVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,7-13(10)11)8-5-3-4-6-12-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide?
2-methyl-2-(oxan-2-yl)propane-1-sulfinamide has a molecular weight of 205.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-2-yl)propane-1-sulfinamide is sourced from PubChem (CID 165459159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).