(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine

C12H24N2S — CID 94887182

IUPAC(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
SMILESC1CCN(CCN[C@@H]2CCCSC2)CC1
InChIInChI=1S/C12H24N2S/c1-2-7-14(8-3-1)9-6-13-12-5-4-10-15-11-12/h12-13H,1-11H2/t12-/m1/s1
InChIKeyYVRHDVVHSYKEJC-GFCCVEGCSA-N
MW228.40 g/mol
LogP1.96
Rot. Bonds4

About (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine

(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine (PubChem CID 94887182) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine.

Molecular Properties

Compound Name(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
PubChem CID94887182
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
SMILESC1CCN(CCN[C@@H]2CCCSC2)CC1
InChIInChI=1S/C12H24N2S/c1-2-7-14(8-3-1)9-6-13-12-5-4-10-15-11-12/h12-13H,1-11H2/t12-/m1/s1
InChIKeyYVRHDVVHSYKEJC-GFCCVEGCSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-piperidin-1-ylethyl)thiolan-3-amine
CID 758325
N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 43181582
N-[2-(azepan-1-yl)ethyl]thian-4-amine
CID 60751888
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-thiomorpholin-4-ylethyl)cyclohexanamine
CID 62573834
N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 62871060
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine?
The IUPAC name of (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine (CID 94887182) is (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine.
What is the SMILES notation for (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine?
The canonical SMILES for (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine is C1CCN(CCN[C@@H]2CCCSC2)CC1.
What is the InChIKey of (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine?
The InChIKey is YVRHDVVHSYKEJC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-7-14(8-3-1)9-6-13-12-5-4-10-15-11-12/h12-13H,1-11H2/t12-/m1/s1.
What are the key properties of (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine?
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-piperidin-1-ylethyl)thian-3-amine is sourced from PubChem (CID 94887182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).