N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine

C11H21NO2S — CID 115718470

IUPACN-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine
SMILESC(COCC1CCOC1)NC1CCSC1
InChIInChI=1S/C11H21NO2S/c1-4-13-7-10(1)8-14-5-3-12-11-2-6-15-9-11/h10-12H,1-9H2
InChIKeyDFUAAYMVHNEGIK-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.13
Rot. Bonds6

About N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine

N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine (PubChem CID 115718470) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine
PubChem CID115718470
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine
SMILESC(COCC1CCOC1)NC1CCSC1
InChIInChI=1S/C11H21NO2S/c1-4-13-7-10(1)8-14-5-3-12-11-2-6-15-9-11/h10-12H,1-9H2
InChIKeyDFUAAYMVHNEGIK-UHFFFAOYSA-N
XLogP1.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-3-ylmethoxy)ethyl]oxan-3-amine
CID 115718476
N-(oxan-4-ylmethyl)thiolan-3-amine
CID 63725208
N-(2-propoxyethyl)thiolan-3-amine
CID 106452650
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
N-[2-(oxolan-3-ylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62582382
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
CID 155891671
2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
CID 94885835
2-fluoro-N-[2-(oxolan-3-ylmethoxy)ethyl]aniline
CID 62585173
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737
2-[2-(oxolan-3-ylmethoxy)ethyl]-1,3-dioxane
CID 66472549
N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine (CID 115718470) is N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine is C(COCC1CCOC1)NC1CCSC1.
What is the InChIKey of N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine?
The InChIKey is DFUAAYMVHNEGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-13-7-10(1)8-14-5-3-12-11-2-6-15-9-11/h10-12H,1-9H2.
What are the key properties of N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine?
N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 115718470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).