N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine

C13H27N3S — CID 55004651

IUPACN-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)C2(CN)CCSC2)CC1
InChIInChI=1S/C13H27N3S/c1-3-16-7-4-12(5-8-16)15(2)13(10-14)6-9-17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyCLQXJOWXSNXONX-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds4

About N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine

N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 55004651) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID55004651
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC NameN-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)C2(CN)CCSC2)CC1
InChIInChI=1S/C13H27N3S/c1-3-16-7-4-12(5-8-16)15(2)13(10-14)6-9-17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyCLQXJOWXSNXONX-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.24
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 N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine (CID 55004651) is N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)C2(CN)CCSC2)CC1.
What is the InChIKey of N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is CLQXJOWXSNXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-3-16-7-4-12(5-8-16)15(2)13(10-14)6-9-17-11-13/h12H,3-11,14H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine?
N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 55004651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).