1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine

C12H25N3S — CID 43585857

IUPAC1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C12H25N3S/c1-14(2)11-3-6-15(7-4-11)12(9-13)5-8-16-10-12/h11H,3-10,13H2,1-2H3
InChIKeyLDUYPUCKFNWOLC-UHFFFAOYSA-N
MW243.42 g/mol
LogP0.85
Rot. Bonds3

About 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine

1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 43585857) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID43585857
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C12H25N3S/c1-14(2)11-3-6-15(7-4-11)12(9-13)5-8-16-10-12/h11H,3-10,13H2,1-2H3
InChIKeyLDUYPUCKFNWOLC-UHFFFAOYSA-N
XLogP0.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
[2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 108424065
3-(Fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115030968
1-[(3-Fluorothiolan-3-yl)methyl]piperidin-4-amine
CID 126845982
9-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245057
4-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58245087
4-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245165
8-Tert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58959518
4-Propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane
CID 91192754
2-ethylsulfanyl-N-methyl-1-(2-methylpiperazin-2-yl)ethanamine
CID 124012829
2-(Thiolan-3-yl)piperazine
CID 131967174
8-Methyl-1-thia-8-azaspiro[4.5]decan-4-amine
CID 135228318

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine (CID 43585857) is 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2(CN)CCSC2)CC1.
What is the InChIKey of 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is LDUYPUCKFNWOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-14(2)11-3-6-15(7-4-11)12(9-13)5-8-16-10-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine?
1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 243.42 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).