2-thiomorpholin-4-ylheptan-1-amine

C11H24N2S — CID 43130462

IUPAC2-thiomorpholin-4-ylheptan-1-amine
SMILESCCCCCC(CN)N1CCSCC1
InChIInChI=1S/C11H24N2S/c1-2-3-4-5-11(10-12)13-6-8-14-9-7-13/h11H,2-10,12H2,1H3
InChIKeyQJRVJOZXSGDFKQ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds6

About 2-thiomorpholin-4-ylheptan-1-amine

2-thiomorpholin-4-ylheptan-1-amine (PubChem CID 43130462) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylheptan-1-amine.

Molecular Properties

Compound Name2-thiomorpholin-4-ylheptan-1-amine
PubChem CID43130462
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-thiomorpholin-4-ylheptan-1-amine
SMILESCCCCCC(CN)N1CCSCC1
InChIInChI=1S/C11H24N2S/c1-2-3-4-5-11(10-12)13-6-8-14-9-7-13/h11H,2-10,12H2,1H3
InChIKeyQJRVJOZXSGDFKQ-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentadecan-8-ylthiomorpholine
CID 134320979
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-(4,4-diethylpiperidin-1-yl)octan-1-amine
CID 55192466
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-(4,4-dimethylpiperidin-1-yl)hexan-1-amine
CID 62937913
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
1-octadecan-4-ylaziridine
CID 87223215
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylheptan-1-amine?
The IUPAC name of 2-thiomorpholin-4-ylheptan-1-amine (CID 43130462) is 2-thiomorpholin-4-ylheptan-1-amine.
What is the SMILES notation for 2-thiomorpholin-4-ylheptan-1-amine?
The canonical SMILES for 2-thiomorpholin-4-ylheptan-1-amine is CCCCCC(CN)N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylheptan-1-amine?
The InChIKey is QJRVJOZXSGDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-2-3-4-5-11(10-12)13-6-8-14-9-7-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-thiomorpholin-4-ylheptan-1-amine?
2-thiomorpholin-4-ylheptan-1-amine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylheptan-1-amine is sourced from PubChem (CID 43130462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).