N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine

C9H18N2S — CID 84660688

IUPACN-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine
SMILESCN(CCSC1CC1)C1CNC1
InChIInChI=1S/C9H18N2S/c1-11(8-6-10-7-8)4-5-12-9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyXIEOWETYGCDMLE-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.79
Rot. Bonds5

About N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine

N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine (PubChem CID 84660688) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine
PubChem CID84660688
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine
SMILESCN(CCSC1CC1)C1CNC1
InChIInChI=1S/C9H18N2S/c1-11(8-6-10-7-8)4-5-12-9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyXIEOWETYGCDMLE-UHFFFAOYSA-N
XLogP0.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine (CID 84660688) is N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine is CN(CCSC1CC1)C1CNC1.
What is the InChIKey of N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine?
The InChIKey is XIEOWETYGCDMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-11(8-6-10-7-8)4-5-12-9-2-3-9/h8-10H,2-7H2,1H3.
What are the key properties of N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine?
N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylsulfanylethyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 84660688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).