N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine

C10H20N2S — CID 79952055

IUPACN-methyl-N-(2-methylthian-3-yl)azetidin-3-amine
SMILESCC1SCCCC1N(C)C1CNC1
InChIInChI=1S/C10H20N2S/c1-8-10(4-3-5-13-8)12(2)9-6-11-7-9/h8-11H,3-7H2,1-2H3
InChIKeySTCVBFHEOQKZFP-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine

N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine (PubChem CID 79952055) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylthian-3-yl)azetidin-3-amine
PubChem CID79952055
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-methyl-N-(2-methylthian-3-yl)azetidin-3-amine
SMILESCC1SCCCC1N(C)C1CNC1
InChIInChI=1S/C10H20N2S/c1-8-10(4-3-5-13-8)12(2)9-6-11-7-9/h8-11H,3-7H2,1-2H3
InChIKeySTCVBFHEOQKZFP-UHFFFAOYSA-N
XLogP1.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(Thian-4-yl)azetidin-3-amine
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1-Methyl-3-(1-methylsulfanylethyl)piperazine
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N-hexan-3-ylthiomorpholin-2-amine
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N-methyl-N-(piperidin-2-ylmethyl)thiolan-3-amine
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N',N'-diethyl-N-(thian-4-yl)ethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine?
The IUPAC name of N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine (CID 79952055) is N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine is CC1SCCCC1N(C)C1CNC1.
What is the InChIKey of N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine?
The InChIKey is STCVBFHEOQKZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8-10(4-3-5-13-8)12(2)9-6-11-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine?
N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylthian-3-yl)azetidin-3-amine is sourced from PubChem (CID 79952055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).