2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone

C10H20N2O2S — CID 66231125

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
SMILESCC(C)(N)CSCC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2,11)8-15-7-9(13)12-3-5-14-6-4-12/h3-8,11H2,1-2H3
InChIKeyXSTPSFWEJWEIME-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.32
Rot. Bonds4

About 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone

2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 66231125) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID66231125
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
SMILESCC(C)(N)CSCC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-10(2,11)8-15-7-9(13)12-3-5-14-6-4-12/h3-8,11H2,1-2H3
InChIKeyXSTPSFWEJWEIME-UHFFFAOYSA-N
XLogP0.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66221215
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
1-[2-(2-amino-2-methylpropyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 66228970
2-(2-amino-2-methylpropyl)sulfanyl-1-(1,4-diazepan-1-yl)ethanone
CID 66230148
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247
2-(2-chloroethylsulfanyl)-1-morpholin-4-ylethanone
CID 154116585
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
2-(disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
2-amino-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide;hydrochloride
CID 119290901
(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
CID 87588859

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone (CID 66231125) is 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone is CC(C)(N)CSCC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is XSTPSFWEJWEIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(2,11)8-15-7-9(13)12-3-5-14-6-4-12/h3-8,11H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone?
2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 232.35 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 66231125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).