(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine

C9H20N2S — CID 127004218

IUPAC(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
SMILESCSC1CCCN(C[C@@H](C)N)C1
InChIInChI=1S/C9H20N2S/c1-8(10)6-11-5-3-4-9(7-11)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9?/m1/s1
InChIKeyFADCXCHGPMYKGP-VEDVMXKPSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds3

About (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine

(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine (PubChem CID 127004218) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
PubChem CID127004218
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine
SMILESCSC1CCCN(C[C@@H](C)N)C1
InChIInChI=1S/C9H20N2S/c1-8(10)6-11-5-3-4-9(7-11)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9?/m1/s1
InChIKeyFADCXCHGPMYKGP-VEDVMXKPSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine?
The IUPAC name of (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine (CID 127004218) is (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine is CSC1CCCN(C[C@@H](C)N)C1.
What is the InChIKey of (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine?
The InChIKey is FADCXCHGPMYKGP-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(10)6-11-5-3-4-9(7-11)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine?
(2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylsulfanylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 127004218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).