N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine

C12H24N2OS — CID 62390250

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CN)CCOCC1)C1CCSC1
InChIInChI=1S/C12H24N2OS/c1-14(11-2-7-16-8-11)10-12(9-13)3-5-15-6-4-12/h11H,2-10,13H2,1H3
InChIKeyAXSUSNNQBKKMST-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.18
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine (PubChem CID 62390250) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine
PubChem CID62390250
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CN)CCOCC1)C1CCSC1
InChIInChI=1S/C12H24N2OS/c1-14(11-2-7-16-8-11)10-12(9-13)3-5-15-6-4-12/h11H,2-10,13H2,1H3
InChIKeyAXSUSNNQBKKMST-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine (CID 62390250) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine is CN(CC1(CN)CCOCC1)C1CCSC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine?
The InChIKey is AXSUSNNQBKKMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-14(11-2-7-16-8-11)10-12(9-13)3-5-15-6-4-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine has a molecular weight of 244.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 62390250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).