2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide

C9H19NO2S — CID 165172615

IUPAC2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h8,10H,4-7H2,1-3H3/t8-,13?/m0/s1
InChIKeyBZFYWIIUOZWUBU-OADYLZGLSA-N
MW205.32 g/mol
LogP1.22
Rot. Bonds3

About 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide

2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide (PubChem CID 165172615) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide
PubChem CID165172615
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h8,10H,4-7H2,1-3H3/t8-,13?/m0/s1
InChIKeyBZFYWIIUOZWUBU-OADYLZGLSA-N
XLogP1.22
TPSA38.33 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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide (CID 165172615) is 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide is CC(C)(C)S(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide?
The InChIKey is BZFYWIIUOZWUBU-OADYLZGLSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h8,10H,4-7H2,1-3H3/t8-,13?/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide?
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide has a molecular weight of 205.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide is sourced from PubChem (CID 165172615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).