[(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium

C8H18NOS+ — CID 7448507

IUPAC[(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium
SMILESCOC[C@H](C)[NH2+][C@@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3/p+1/t7-,8+/m0/s1
InChIKeyKTZJJEXSRMYNJO-JGVFFNPUSA-O
MW176.30 g/mol
LogP0.09
Rot. Bonds4

About [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium

[(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium (PubChem CID 7448507) has the molecular formula C8H18NOS+ and a molecular weight of 176.30 g/mol. Its IUPAC name is [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium
PubChem CID7448507
Molecular FormulaC8H18NOS+
Molecular Weight176.30 g/mol
Exact Mass176.11
IUPAC Name[(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium
SMILESCOC[C@H](C)[NH2+][C@@H]1CCSC1
InChIInChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3/p+1/t7-,8+/m0/s1
InChIKeyKTZJJEXSRMYNJO-JGVFFNPUSA-O
XLogP0.09
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Methoxypropyl)tetrahydrothiophen-3-amine
CID 2849476
3-((2-Methoxyethyl)amino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248004
(2-Methoxy-1-methylethyl)tetrahydro-3-thienylamine
CID 2849473
N-(2-methoxyethyl)thian-3-amine
CID 62873232
N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 63827121
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 79950438
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 102671456
N-[2-(trifluoromethoxy)ethyl]thiolan-3-amine
CID 103062932
N-[2-(2,2-difluoroethoxy)ethyl]thiolan-3-amine
CID 103082627
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylthiolan-3-amine
CID 103083068
N-[2-(2,2-difluoroethoxy)ethyl]-5-methylthiolan-3-amine
CID 105905425
4-methylsulfanyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 116127278

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium?
The IUPAC name of [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium (CID 7448507) is [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium.
What is the SMILES notation for [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium?
The canonical SMILES for [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium is COC[C@H](C)[NH2+][C@@H]1CCSC1.
What is the InChIKey of [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium?
The InChIKey is KTZJJEXSRMYNJO-JGVFFNPUSA-O. The full InChI is InChI=1S/C8H17NOS/c1-7(5-10-2)9-8-3-4-11-6-8/h7-9H,3-6H2,1-2H3/p+1/t7-,8+/m0/s1.
What are the key properties of [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium?
[(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium has a molecular weight of 176.30 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxypropan-2-yl]-[(3R)-thiolan-3-yl]azanium is sourced from PubChem (CID 7448507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).