2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide

C10H21NO2S — CID 170339549

IUPAC2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide
SMILESCC(C)C1(CC(C)(C)S(N)=O)COC1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(6-13-7-10)5-9(3,4)14(11)12/h8H,5-7,11H2,1-4H3
InChIKeyOPNGIVXQLLAQFQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide

2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide (PubChem CID 170339549) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide
PubChem CID170339549
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide
SMILESCC(C)C1(CC(C)(C)S(N)=O)COC1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(6-13-7-10)5-9(3,4)14(11)12/h8H,5-7,11H2,1-4H3
InChIKeyOPNGIVXQLLAQFQ-UHFFFAOYSA-N
XLogP1.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-butan-2-yloxetan-3-yl)methanamine
CID 139418018
3-[(2R)-3,3-dimethylbutan-2-yl]-3-[(2-methylpropan-2-yl)oxymethyl]oxetane
CID 169305918
N-methyl-1-(3-propan-2-yloxan-3-yl)methanamine
CID 103743906
1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine
CID 116869966
methyl (2R)-2-[3-[[(R)-tert-butylsulfinyl]amino]oxetan-3-yl]propanoate
CID 129410526
1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
CID 116959550
3-(1-bromoethyl)-3-propyloxetane
CID 66885643
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
CID 116913012
(4S)-5,5-difluoro-4-(hydroxymethyl)-2-methylpentane-2-sulfinamide
CID 171590273
1-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]propane-2-sulfinamide
CID 156624820
[3-(difluoromethyl)oxetan-3-yl]methanamine
CID 105427900
[1-(difluoromethyl)cyclobutyl]methanesulfinamide
CID 165452874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide (CID 170339549) is 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide is CC(C)C1(CC(C)(C)S(N)=O)COC1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide?
The InChIKey is OPNGIVXQLLAQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)10(6-13-7-10)5-9(3,4)14(11)12/h8H,5-7,11H2,1-4H3.
What are the key properties of 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide?
2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide has a molecular weight of 219.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yloxetan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 170339549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).