4-(azetidin-1-ylmethyl)thian-4-amine

C9H18N2S — CID 84732813

IUPAC4-(azetidin-1-ylmethyl)thian-4-amine
SMILESNC1(CN2CCC2)CCSCC1
InChIInChI=1S/C9H18N2S/c10-9(2-6-12-7-3-9)8-11-4-1-5-11/h1-8,10H2
InChIKeyCLDXKQQQEMEVEG-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)thian-4-amine

4-(azetidin-1-ylmethyl)thian-4-amine (PubChem CID 84732813) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)thian-4-amine
PubChem CID84732813
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-(azetidin-1-ylmethyl)thian-4-amine
SMILESNC1(CN2CCC2)CCSCC1
InChIInChI=1S/C9H18N2S/c10-9(2-6-12-7-3-9)8-11-4-1-5-11/h1-8,10H2
InChIKeyCLDXKQQQEMEVEG-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
1-(Thian-4-yl)azetidin-3-amine
CID 65244723
4-(aminomethyl)-N,N-bis(2-methylpropyl)thian-4-amine
CID 54981356
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)thian-4-amine
CID 54981699
4-(aminomethyl)-N,N-dibutylthian-4-amine
CID 54981839
4-(aminomethyl)-N-butan-2-yl-N-butylthian-4-amine
CID 55005453
N'-[4-(aminomethyl)thian-4-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55011314
4-(aminomethyl)-N-propan-2-yl-N-propylthian-4-amine
CID 61562842
4-(aminomethyl)-N-methyl-N-propylthian-4-amine
CID 61562844
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)thian-4-amine
CID 61562845
4-(aminomethyl)-N,N-diethylthian-4-amine
CID 61562875
4-(aminomethyl)-N-methyl-N-propan-2-ylthian-4-amine
CID 61562989

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)thian-4-amine?
The IUPAC name of 4-(azetidin-1-ylmethyl)thian-4-amine (CID 84732813) is 4-(azetidin-1-ylmethyl)thian-4-amine.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)thian-4-amine?
The canonical SMILES for 4-(azetidin-1-ylmethyl)thian-4-amine is NC1(CN2CCC2)CCSCC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)thian-4-amine?
The InChIKey is CLDXKQQQEMEVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c10-9(2-6-12-7-3-9)8-11-4-1-5-11/h1-8,10H2.
What are the key properties of 4-(azetidin-1-ylmethyl)thian-4-amine?
4-(azetidin-1-ylmethyl)thian-4-amine has a molecular weight of 186.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)thian-4-amine is sourced from PubChem (CID 84732813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).