2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone

C9H18N2OS — CID 66221215

IUPAC2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
SMILESCC(C)(N)CSCC(=O)N1CCC1
InChIInChI=1S/C9H18N2OS/c1-9(2,10)7-13-6-8(12)11-4-3-5-11/h3-7,10H2,1-2H3
InChIKeyBRHIHWJZDQWYOM-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.69
Rot. Bonds4

About 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone

2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone (PubChem CID 66221215) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
PubChem CID66221215
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
SMILESCC(C)(N)CSCC(=O)N1CCC1
InChIInChI=1S/C9H18N2OS/c1-9(2,10)7-13-6-8(12)11-4-3-5-11/h3-7,10H2,1-2H3
InChIKeyBRHIHWJZDQWYOM-UHFFFAOYSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-1-(1,4-diazepan-1-yl)ethanone
CID 66230148
2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
CID 66231125
1-[2-(2-amino-2-methylpropyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 66228970
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-(azetidin-1-yl)-2-methylsulfanylethanone
CID 128928827
2-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanoic acid
CID 79015410
2-(3-aminobutylsulfanyl)-1-(azetidin-1-yl)ethanone
CID 66234627
2-(3-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 66227467
2-(ethylamino)-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpropanenitrile
CID 114236094
3-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylbutan-1-one
CID 103810943
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone (CID 66221215) is 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone is CC(C)(N)CSCC(=O)N1CCC1.
What is the InChIKey of 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone?
The InChIKey is BRHIHWJZDQWYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-9(2,10)7-13-6-8(12)11-4-3-5-11/h3-7,10H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone?
2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone has a molecular weight of 202.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)sulfanyl-1-(azetidin-1-yl)ethanone is sourced from PubChem (CID 66221215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).