[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine

C9H17NO2S — CID 115094449

IUPAC[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(CC2CCSC2)O1
InChIInChI=1S/C9H17NO2S/c10-4-8-5-11-9(12-8)3-7-1-2-13-6-7/h7-9H,1-6,10H2
InChIKeyOTENFXDPIAOHSV-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.83
Rot. Bonds3

About [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine

[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 115094449) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID115094449
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1COC(CC2CCSC2)O1
InChIInChI=1S/C9H17NO2S/c10-4-8-5-11-9(12-8)3-7-1-2-13-6-7/h7-9H,1-6,10H2
InChIKeyOTENFXDPIAOHSV-UHFFFAOYSA-N
XLogP0.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 82776616
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-dioxolan-4-yl]methanamine
CID 115094477
2-[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]acetic acid
CID 117168668
[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 115094596
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
3-(2,2-dimethylpropyl)thiolane
CID 58797584
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
2-(thiolan-3-ylmethyl)-1,3-oxazinane
CID 117225889
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227715
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663
sodium thiolan-3-ylmethanethiolate
CID 20706984
N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107133230

Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine (CID 115094449) is [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine is NCC1COC(CC2CCSC2)O1.
What is the InChIKey of [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is OTENFXDPIAOHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c10-4-8-5-11-9(12-8)3-7-1-2-13-6-7/h7-9H,1-6,10H2.
What are the key properties of [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine?
[2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 203.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 115094449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).