3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine

C10H20N2O3S — CID 63335117

IUPAC3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C1(CN)CCOC1
InChIInChI=1S/C10H20N2O3S/c1-12(9-2-5-16(13,14)6-9)10(7-11)3-4-15-8-10/h9H,2-8,11H2,1H3
InChIKeyDZAYXFBWHIBPON-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.78
Rot. Bonds3

About 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine

3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine (PubChem CID 63335117) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
PubChem CID63335117
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
SMILESCN(C1CCS(=O)(=O)C1)C1(CN)CCOC1
InChIInChI=1S/C10H20N2O3S/c1-12(9-2-5-16(13,14)6-9)10(7-11)3-4-15-8-10/h9H,2-8,11H2,1H3
InChIKeyDZAYXFBWHIBPON-UHFFFAOYSA-N
XLogP-0.78
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648656
N-[3-(aminomethyl)oxolan-3-yl]-N,1-dimethylpiperidin-4-amine
CID 63335656
N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64501186
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylazepan-4-amine
CID 65078367
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
6-(aminomethyl)-N-cyclopropyl-N-methyl-1,4-dioxepan-6-amine
CID 126981781
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107428952
N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648675
N-[4-(aminomethyl)oxan-4-yl]-N,1-dimethylpiperidin-4-amine
CID 54942199
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxolane-3-carboxylic acid
CID 55056654
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyloxolane-3-carboxamide
CID 64891148
N-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-N-methyloxolan-3-amine
CID 82734241

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine (CID 63335117) is 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine is CN(C1CCS(=O)(=O)C1)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine?
The InChIKey is DZAYXFBWHIBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-12(9-2-5-16(13,14)6-9)10(7-11)3-4-15-8-10/h9H,2-8,11H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine?
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine has a molecular weight of 248.35 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine is sourced from PubChem (CID 63335117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).