N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine

C10H22N2S — CID 62419040

IUPACN-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCC(C)NCC(C)N1CCSCC1
InChIInChI=1S/C10H22N2S/c1-9(2)11-8-10(3)12-4-6-13-7-5-12/h9-11H,4-8H2,1-3H3
InChIKeyZFIXVQADLBILGE-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds4

About N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine

N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419040) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419040
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCC(C)NCC(C)N1CCSCC1
InChIInChI=1S/C10H22N2S/c1-9(2)11-8-10(3)12-4-6-13-7-5-12/h9-11H,4-8H2,1-3H3
InChIKeyZFIXVQADLBILGE-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine (CID 62419040) is N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine is CC(C)NCC(C)N1CCSCC1.
What is the InChIKey of N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is ZFIXVQADLBILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(2)11-8-10(3)12-4-6-13-7-5-12/h9-11H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine?
N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).