[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine

C16H31N3S — CID 62871130

IUPAC[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine
SMILESNCC1(N2CCC(N3CCCCC3)CC2)CCCSC1
InChIInChI=1S/C16H31N3S/c17-13-16(7-4-12-20-14-16)19-10-5-15(6-11-19)18-8-2-1-3-9-18/h15H,1-14,17H2
InChIKeyUXPCJGPKLVEHRJ-UHFFFAOYSA-N
MW297.51 g/mol
LogP2.16
Rot. Bonds3

About [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine

[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine (PubChem CID 62871130) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine
PubChem CID62871130
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine
SMILESNCC1(N2CCC(N3CCCCC3)CC2)CCCSC1
InChIInChI=1S/C16H31N3S/c17-13-16(7-4-12-20-14-16)19-10-5-15(6-11-19)18-8-2-1-3-9-18/h15H,1-14,17H2
InChIKeyUXPCJGPKLVEHRJ-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-ethylpiperidin-1-yl)thian-3-yl]methanamine
CID 62872027
[3-(azepan-1-yl)thiolan-3-yl]methanamine
CID 24710395
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
[3-(8-azaspiro[4.5]decan-8-yl)thian-3-yl]methanamine
CID 63156792
[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine
CID 64501577
[1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopropyl]methanamine
CID 106661223
[3-(1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 62986373
[5,5-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)thian-3-yl]methanamine
CID 79957955
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803
[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 81469831
[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79175489
[3-(azepan-1-yl)-1-cyclopropylpyrrolidin-3-yl]methanamine
CID 62976371

Frequently Asked Questions

What is the IUPAC name of [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine?
The IUPAC name of [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine (CID 62871130) is [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine.
What is the SMILES notation for [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine?
The canonical SMILES for [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine is NCC1(N2CCC(N3CCCCC3)CC2)CCCSC1.
What is the InChIKey of [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine?
The InChIKey is UXPCJGPKLVEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c17-13-16(7-4-12-20-14-16)19-10-5-15(6-11-19)18-8-2-1-3-9-18/h15H,1-14,17H2.
What are the key properties of [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine?
[3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine has a molecular weight of 297.51 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-piperidin-1-ylpiperidin-1-yl)thian-3-yl]methanamine is sourced from PubChem (CID 62871130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).