(2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine

C10H22N2S — CID 28787608

IUPAC(2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine
SMILESCC[C@@H](C)[C@@H](N)CN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-9(2)10(11)8-12-4-6-13-7-5-12/h9-10H,3-8,11H2,1-2H3/t9-,10+/m1/s1
InChIKeyDXYMWDCYWUJHRU-ZJUUUORDSA-N
MW202.37 g/mol
LogP1.41
Rot. Bonds4

About (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine

(2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine (PubChem CID 28787608) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine
PubChem CID28787608
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name(2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine
SMILESCC[C@@H](C)[C@@H](N)CN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-9(2)10(11)8-12-4-6-13-7-5-12/h9-10H,3-8,11H2,1-2H3/t9-,10+/m1/s1
InChIKeyDXYMWDCYWUJHRU-ZJUUUORDSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine?
The IUPAC name of (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine (CID 28787608) is (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine.
What is the SMILES notation for (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine?
The canonical SMILES for (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine is CC[C@@H](C)[C@@H](N)CN1CCSCC1.
What is the InChIKey of (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine?
The InChIKey is DXYMWDCYWUJHRU-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-9(2)10(11)8-12-4-6-13-7-5-12/h9-10H,3-8,11H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine?
(2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-1-thiomorpholin-4-ylpentan-2-amine is sourced from PubChem (CID 28787608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).