N-(2-thiomorpholin-3-ylethyl)butan-2-amine

C10H22N2S — CID 66421926

IUPACN-(2-thiomorpholin-3-ylethyl)butan-2-amine
SMILESCCC(C)NCCC1CSCCN1
InChIInChI=1S/C10H22N2S/c1-3-9(2)11-5-4-10-8-13-7-6-12-10/h9-12H,3-8H2,1-2H3
InChIKeyDJHPUGZDCGLBGJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.47
Rot. Bonds5

About N-(2-thiomorpholin-3-ylethyl)butan-2-amine

N-(2-thiomorpholin-3-ylethyl)butan-2-amine (PubChem CID 66421926) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-(2-thiomorpholin-3-ylethyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-3-ylethyl)butan-2-amine
PubChem CID66421926
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-(2-thiomorpholin-3-ylethyl)butan-2-amine
SMILESCCC(C)NCCC1CSCCN1
InChIInChI=1S/C10H22N2S/c1-3-9(2)11-5-4-10-8-13-7-6-12-10/h9-12H,3-8H2,1-2H3
InChIKeyDJHPUGZDCGLBGJ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-thiomorpholin-3-ylethyl)heptan-2-amine
CID 66422759
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 103462147
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
CID 114547193
2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 106294061
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209
3-[2-(2-ethylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422321
3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine
CID 66422965

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-3-ylethyl)butan-2-amine?
The IUPAC name of N-(2-thiomorpholin-3-ylethyl)butan-2-amine (CID 66421926) is N-(2-thiomorpholin-3-ylethyl)butan-2-amine.
What is the SMILES notation for N-(2-thiomorpholin-3-ylethyl)butan-2-amine?
The canonical SMILES for N-(2-thiomorpholin-3-ylethyl)butan-2-amine is CCC(C)NCCC1CSCCN1.
What is the InChIKey of N-(2-thiomorpholin-3-ylethyl)butan-2-amine?
The InChIKey is DJHPUGZDCGLBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-9(2)11-5-4-10-8-13-7-6-12-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(2-thiomorpholin-3-ylethyl)butan-2-amine?
N-(2-thiomorpholin-3-ylethyl)butan-2-amine has a molecular weight of 202.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-3-ylethyl)butan-2-amine is sourced from PubChem (CID 66421926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).