N-(2,2-dimethoxyethyl)thiolan-3-amine

C8H17NO2S — CID 60663265

IUPACN-(2,2-dimethoxyethyl)thiolan-3-amine
SMILESCOC(CNC1CCSC1)OC
InChIInChI=1S/C8H17NO2S/c1-10-8(11-2)5-9-7-3-4-12-6-7/h7-9H,3-6H2,1-2H3
InChIKeyPTVPIZAGBRQYRM-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.70
Rot. Bonds5

About N-(2,2-dimethoxyethyl)thiolan-3-amine

N-(2,2-dimethoxyethyl)thiolan-3-amine (PubChem CID 60663265) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)thiolan-3-amine
PubChem CID60663265
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2,2-dimethoxyethyl)thiolan-3-amine
SMILESCOC(CNC1CCSC1)OC
InChIInChI=1S/C8H17NO2S/c1-10-8(11-2)5-9-7-3-4-12-6-7/h7-9H,3-6H2,1-2H3
InChIKeyPTVPIZAGBRQYRM-UHFFFAOYSA-N
XLogP0.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
N-(2-ethoxypropyl)thiolan-3-amine
CID 115724223
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
N-(2-piperidin-1-ylpropyl)thiolan-3-amine
CID 61011012
N-(2-propylhexyl)thiolan-3-amine
CID 115727503
2,2-dimethoxy-N-(thian-4-ylmethyl)ethanamine
CID 112704412
N-(2-propoxyethyl)thiolan-3-amine
CID 106452650
N-(2-phenylsulfanylpropyl)thiolan-3-amine
CID 115724831
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)thiolan-3-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)thiolan-3-amine (CID 60663265) is N-(2,2-dimethoxyethyl)thiolan-3-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)thiolan-3-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)thiolan-3-amine is COC(CNC1CCSC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)thiolan-3-amine?
The InChIKey is PTVPIZAGBRQYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-10-8(11-2)5-9-7-3-4-12-6-7/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)thiolan-3-amine?
N-(2,2-dimethoxyethyl)thiolan-3-amine has a molecular weight of 191.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)thiolan-3-amine is sourced from PubChem (CID 60663265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).