2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one

C11H22N2OS — CID 86814201

IUPAC2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-3-11(4-2,9-12)10(14)13-5-7-15-8-6-13/h3-9,12H2,1-2H3
InChIKeyCDHABLPEJCRKKS-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.33
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one

2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one (PubChem CID 86814201) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one
PubChem CID86814201
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCSCC1
InChIInChI=1S/C11H22N2OS/c1-3-11(4-2,9-12)10(14)13-5-7-15-8-6-13/h3-9,12H2,1-2H3
InChIKeyCDHABLPEJCRKKS-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
CID 61148706
N-[[4-(aminomethyl)thian-4-yl]methyl]acetamide
CID 18614304
3,3-Dimethyl-1-(thiomorpholin-4-yl)butan-1-one
CID 20590490
2,2-Dimethyl-1-thiomorpholin-4-ylbutan-1-one
CID 57553350
(1-Ethylcyclopropyl)-thiomorpholin-4-ylmethanone
CID 68248740
2,2-Diethyl-1-thiomorpholin-4-ylbutan-1-one
CID 68249513
3,3-Dimethyl-1-thiomorpholin-4-ylpentan-1-one
CID 68249529
2-Amino-3,3-dimethyl-1-thiomorpholin-4-ylbutan-1-one
CID 76892351
2-methyl-N-(3-thiomorpholin-4-ylpropyl)butanamide
CID 129181027
2-methyl-N-[3-(4-methylthiomorpholin-4-ium-4-yl)propyl]butanamide
CID 129181031
Ethane;methanamine;1-thiomorpholin-4-ylbutan-1-one
CID 143869964
2-(Aminomethyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylbutan-1-one
CID 61829303

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one (CID 86814201) is 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one is CCC(CC)(CN)C(=O)N1CCSCC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one?
The InChIKey is CDHABLPEJCRKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-11(4-2,9-12)10(14)13-5-7-15-8-6-13/h3-9,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one?
2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one has a molecular weight of 230.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-thiomorpholin-4-ylbutan-1-one is sourced from PubChem (CID 86814201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).