N-(2-thiomorpholin-4-ylethyl)butan-2-amine

C10H22N2S — CID 60854480

IUPACN-(2-thiomorpholin-4-ylethyl)butan-2-amine
SMILESCCC(C)NCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-10(2)11-4-5-12-6-8-13-9-7-12/h10-11H,3-9H2,1-2H3
InChIKeyHLRUSWHFPUCFRI-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds5

About N-(2-thiomorpholin-4-ylethyl)butan-2-amine

N-(2-thiomorpholin-4-ylethyl)butan-2-amine (PubChem CID 60854480) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)butan-2-amine
PubChem CID60854480
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-(2-thiomorpholin-4-ylethyl)butan-2-amine
SMILESCCC(C)NCCN1CCSCC1
InChIInChI=1S/C10H22N2S/c1-3-10(2)11-4-5-12-6-8-13-9-7-12/h10-11H,3-9H2,1-2H3
InChIKeyHLRUSWHFPUCFRI-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Thiomorpholin-3-yl)methanamine
CID 13487765
2-Thiomorpholin-4-ylpropan-1-amine
CID 19106744
2,3,5,6-Tetramethylthio-morpholine
CID 57044051
1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride
CID 54759030
1-(2-(Methylsulfanyl)ethyl)piperazine
CID 13154310
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
1-(2-Butylsulfanylethynyl)piperazine
CID 134920718
1-(2-Propylsulfanylethynyl)piperazine
CID 134987593
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
4,4,4-Trifluoro-3-(3-methylthiomorpholin-4-yl)butan-2-amine
CID 64040126

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)butan-2-amine (CID 60854480) is N-(2-thiomorpholin-4-ylethyl)butan-2-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)butan-2-amine is CCC(C)NCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
The InChIKey is HLRUSWHFPUCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-10(2)11-4-5-12-6-8-13-9-7-12/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)butan-2-amine?
N-(2-thiomorpholin-4-ylethyl)butan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)butan-2-amine is sourced from PubChem (CID 60854480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).