N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine

C8H18N2S — CID 130440236

IUPACN,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
SMILESCNCC1(N(C)C)CCSC1
InChIInChI=1S/C8H18N2S/c1-9-6-8(10(2)3)4-5-11-7-8/h9H,4-7H2,1-3H3
InChIKeyVBCGYMZBDJQHLR-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.64
Rot. Bonds3

About N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine

N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine (PubChem CID 130440236) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
PubChem CID130440236
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
SMILESCNCC1(N(C)C)CCSC1
InChIInChI=1S/C8H18N2S/c1-9-6-8(10(2)3)4-5-11-7-8/h9H,4-7H2,1-3H3
InChIKeyVBCGYMZBDJQHLR-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine?
The IUPAC name of N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine (CID 130440236) is N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine.
What is the SMILES notation for N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine?
The canonical SMILES for N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine is CNCC1(N(C)C)CCSC1.
What is the InChIKey of N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine?
The InChIKey is VBCGYMZBDJQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-9-6-8(10(2)3)4-5-11-7-8/h9H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine?
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine has a molecular weight of 174.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine is sourced from PubChem (CID 130440236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).