[1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine

C7H16N2S — CID 84651094

IUPAC[1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine
SMILESCSCCN1CC(CN)C1
InChIInChI=1S/C7H16N2S/c1-10-3-2-9-5-7(4-8)6-9/h7H,2-6,8H2,1H3
InChIKeyDUZJEJDQNZRNJL-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.24
Rot. Bonds4

About [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine

[1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine (PubChem CID 84651094) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine
PubChem CID84651094
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name[1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine
SMILESCSCCN1CC(CN)C1
InChIInChI=1S/C7H16N2S/c1-10-3-2-9-5-7(4-8)6-9/h7H,2-6,8H2,1H3
InChIKeyDUZJEJDQNZRNJL-UHFFFAOYSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromoethyl)azetidin-3-yl]methanamine
CID 167184811
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
1-(2-methoxyethyl)-2,6-dimethyl-4-(2-methylsulfanylethyl)piperazine
CID 75431601
2-(2-methylsulfanylethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 112733964
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]methanamine
CID 116616921
2-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]ethanamine
CID 131206914
N-methyl-1-(2-methylsulfanylethyl)piperidin-4-amine
CID 63966753
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
3-[2-(3-ethylazetidin-1-yl)ethylsulfanyl]propan-1-ol
CID 106305047
3-fluoro-1-(2-methylsulfanylethyl)azepane
CID 130891345
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63960241

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine (CID 84651094) is [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine is CSCCN1CC(CN)C1.
What is the InChIKey of [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine?
The InChIKey is DUZJEJDQNZRNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-10-3-2-9-5-7(4-8)6-9/h7H,2-6,8H2,1H3.
What are the key properties of [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine?
[1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine has a molecular weight of 160.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfanylethyl)azetidin-3-yl]methanamine is sourced from PubChem (CID 84651094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).