3-(azetidin-1-ylmethyl)thiolan-3-amine

C8H16N2S — CID 84731991

IUPAC3-(azetidin-1-ylmethyl)thiolan-3-amine
SMILESNC1(CN2CCC2)CCSC1
InChIInChI=1S/C8H16N2S/c9-8(2-5-11-7-8)6-10-3-1-4-10/h1-7,9H2
InChIKeyMNHAIZKKLAUWIM-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.53
Rot. Bonds2

About 3-(azetidin-1-ylmethyl)thiolan-3-amine

3-(azetidin-1-ylmethyl)thiolan-3-amine (PubChem CID 84731991) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)thiolan-3-amine
PubChem CID84731991
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name3-(azetidin-1-ylmethyl)thiolan-3-amine
SMILESNC1(CN2CCC2)CCSC1
InChIInChI=1S/C8H16N2S/c9-8(2-5-11-7-8)6-10-3-1-4-10/h1-7,9H2
InChIKeyMNHAIZKKLAUWIM-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049
3-(aminomethyl)-N-butyl-N-ethylthiolan-3-amine
CID 24697263
3-(aminomethyl)-N,N-dipropylthiolan-3-amine
CID 24705226
3-(aminomethyl)-N,N-diethylthiolan-3-amine
CID 24705648
3-(aminomethyl)-N-butyl-N-methylthiolan-3-amine
CID 24707677
3-(aminomethyl)-N,N-dibutylthiolan-3-amine
CID 43125890
3-(aminomethyl)-N-ethyl-N-methylthiolan-3-amine
CID 43263240
3-(aminomethyl)-N-ethyl-N-propan-2-ylthiolan-3-amine
CID 43265606
3-(aminomethyl)-N-ethyl-N-propylthiolan-3-amine
CID 43268613
3-(aminomethyl)-N-propan-2-yl-N-propylthiolan-3-amine
CID 43269425
3-(aminomethyl)-N-methyl-N-propylthiolan-3-amine
CID 43271076

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)thiolan-3-amine?
The IUPAC name of 3-(azetidin-1-ylmethyl)thiolan-3-amine (CID 84731991) is 3-(azetidin-1-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)thiolan-3-amine?
The canonical SMILES for 3-(azetidin-1-ylmethyl)thiolan-3-amine is NC1(CN2CCC2)CCSC1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)thiolan-3-amine?
The InChIKey is MNHAIZKKLAUWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c9-8(2-5-11-7-8)6-10-3-1-4-10/h1-7,9H2.
What are the key properties of 3-(azetidin-1-ylmethyl)thiolan-3-amine?
3-(azetidin-1-ylmethyl)thiolan-3-amine has a molecular weight of 172.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 84731991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).