1-thiomorpholin-4-ylhexan-2-amine

C10H22N2S — CID 60852436

IUPAC1-thiomorpholin-4-ylhexan-2-amine
SMILESCCCCC(N)CN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-2-3-4-10(11)9-12-5-7-13-8-6-12/h10H,2-9,11H2,1H3
InChIKeyRLCHGJPYCVBUHL-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds5

About 1-thiomorpholin-4-ylhexan-2-amine

1-thiomorpholin-4-ylhexan-2-amine (PubChem CID 60852436) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylhexan-2-amine.

Molecular Properties

Compound Name1-thiomorpholin-4-ylhexan-2-amine
PubChem CID60852436
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-thiomorpholin-4-ylhexan-2-amine
SMILESCCCCC(N)CN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-2-3-4-10(11)9-12-5-7-13-8-6-12/h10H,2-9,11H2,1H3
InChIKeyRLCHGJPYCVBUHL-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiomorpholin-4-ylpropan-1-amine
CID 19106744
3-(Piperidin-1-ylmethyl)-1,4-thiazepane
CID 71300289
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
1,1,1-Trifluoro-2-(3-methylthiomorpholin-4-yl)pentan-3-amine
CID 64039717
2-(2,6-Dimethylthiomorpholin-4-yl)-1,1,1-trifluoropentan-3-amine
CID 64114890
5-Methylsulfanyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 103088598
5,5,5-Trifluoro-1-(4-methylthiomorpholin-3-yl)pentan-1-amine
CID 103595836
N-propan-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 104891390
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 106427102
N-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-3-amine
CID 106432544

Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-ylhexan-2-amine?
The IUPAC name of 1-thiomorpholin-4-ylhexan-2-amine (CID 60852436) is 1-thiomorpholin-4-ylhexan-2-amine.
What is the SMILES notation for 1-thiomorpholin-4-ylhexan-2-amine?
The canonical SMILES for 1-thiomorpholin-4-ylhexan-2-amine is CCCCC(N)CN1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylhexan-2-amine?
The InChIKey is RLCHGJPYCVBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-2-3-4-10(11)9-12-5-7-13-8-6-12/h10H,2-9,11H2,1H3.
What are the key properties of 1-thiomorpholin-4-ylhexan-2-amine?
1-thiomorpholin-4-ylhexan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylhexan-2-amine is sourced from PubChem (CID 60852436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).