N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

C12H24N2O3S — CID 55066286

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1(CN)CCOCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-14(11-2-7-18(15,16)8-11)10-12(9-13)3-5-17-6-4-12/h11H,2-10,13H2,1H3
InChIKeyJFBWTUQDFURBAL-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.14
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 55066286) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID55066286
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1(CN)CCOCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O3S/c1-14(11-2-7-18(15,16)8-11)10-12(9-13)3-5-17-6-4-12/h11H,2-10,13H2,1H3
InChIKeyJFBWTUQDFURBAL-UHFFFAOYSA-N
XLogP-0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 55066286) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1(CN)CCOCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is JFBWTUQDFURBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(11-2-7-18(15,16)8-11)10-12(9-13)3-5-17-6-4-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 276.40 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 55066286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).