N-hexan-3-ylthiomorpholin-2-amine

C10H22N2S — CID 173144264

IUPACN-hexan-3-ylthiomorpholin-2-amine
SMILESCCCC(CC)NC1CNCCS1
InChIInChI=1S/C10H22N2S/c1-3-5-9(4-2)12-10-8-11-6-7-13-10/h9-12H,3-8H2,1-2H3
InChIKeyWNTJFDCBMVEYLC-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.82
Rot. Bonds5

About N-hexan-3-ylthiomorpholin-2-amine

N-hexan-3-ylthiomorpholin-2-amine (PubChem CID 173144264) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-hexan-3-ylthiomorpholin-2-amine.

Molecular Properties

Compound NameN-hexan-3-ylthiomorpholin-2-amine
PubChem CID173144264
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-hexan-3-ylthiomorpholin-2-amine
SMILESCCCC(CC)NC1CNCCS1
InChIInChI=1S/C10H22N2S/c1-3-5-9(4-2)12-10-8-11-6-7-13-10/h9-12H,3-8H2,1-2H3
InChIKeyWNTJFDCBMVEYLC-UHFFFAOYSA-N
XLogP1.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-hexan-3-ylthiomorpholin-2-amine?
The IUPAC name of N-hexan-3-ylthiomorpholin-2-amine (CID 173144264) is N-hexan-3-ylthiomorpholin-2-amine.
What is the SMILES notation for N-hexan-3-ylthiomorpholin-2-amine?
The canonical SMILES for N-hexan-3-ylthiomorpholin-2-amine is CCCC(CC)NC1CNCCS1.
What is the InChIKey of N-hexan-3-ylthiomorpholin-2-amine?
The InChIKey is WNTJFDCBMVEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-5-9(4-2)12-10-8-11-6-7-13-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-hexan-3-ylthiomorpholin-2-amine?
N-hexan-3-ylthiomorpholin-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-ylthiomorpholin-2-amine is sourced from PubChem (CID 173144264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).