[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium

C10H16NOS+ — CID 7129182

IUPAC[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
SMILESc1csc(C[NH2+]C[C@@H]2CCCO2)c1
InChIInChI=1S/C10H15NOS/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h2,4,6,9,11H,1,3,5,7-8H2/p+1/t9-/m0/s1
InChIKeyXLBLINMXRABVKF-VIFPVBQESA-O
MW198.31 g/mol
LogP0.99
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium

[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 7129182) has the molecular formula C10H16NOS+ and a molecular weight of 198.31 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
PubChem CID7129182
Molecular FormulaC10H16NOS+
Molecular Weight198.31 g/mol
Exact Mass198.09
IUPAC Name[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
SMILESc1csc(C[NH2+]C[C@@H]2CCCO2)c1
InChIInChI=1S/C10H15NOS/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h2,4,6,9,11H,1,3,5,7-8H2/p+1/t9-/m0/s1
InChIKeyXLBLINMXRABVKF-VIFPVBQESA-O
XLogP0.99
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 63774614
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
N-(oxolan-2-ylmethyl)thiophen-2-amine
CID 3436457
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 7298330
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
[1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105198543
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium (CID 7129182) is [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium is c1csc(C[NH2+]C[C@@H]2CCCO2)c1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is XLBLINMXRABVKF-VIFPVBQESA-O. The full InChI is InChI=1S/C10H15NOS/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h2,4,6,9,11H,1,3,5,7-8H2/p+1/t9-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium?
[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 198.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7129182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).