[(2S)-2-(sulfinoamino)propanoyl]cyclopropane

C6H11NO3S — CID 57202481

IUPAC[(2S)-2-(sulfinoamino)propanoyl]cyclopropane
SMILESC[C@H](NS(=O)O)C(=O)C1CC1
InChIInChI=1S/C6H11NO3S/c1-4(7-11(9)10)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyKZHJYOAUVBBXBY-BYPYZUCNSA-N
MW177.22 g/mol
LogP0.08
Rot. Bonds4

About [(2S)-2-(sulfinoamino)propanoyl]cyclopropane

[(2S)-2-(sulfinoamino)propanoyl]cyclopropane (PubChem CID 57202481) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is [(2S)-2-(sulfinoamino)propanoyl]cyclopropane.

Molecular Properties

Compound Name[(2S)-2-(sulfinoamino)propanoyl]cyclopropane
PubChem CID57202481
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name[(2S)-2-(sulfinoamino)propanoyl]cyclopropane
SMILESC[C@H](NS(=O)O)C(=O)C1CC1
InChIInChI=1S/C6H11NO3S/c1-4(7-11(9)10)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyKZHJYOAUVBBXBY-BYPYZUCNSA-N
XLogP0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze [(2S)-2-(sulfinoamino)propanoyl]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
CID 171098969
(2S)-1-cyclopropyl-2-hydroxypropan-1-one
CID 124679592
1-oxo-2-(sulfinoamino)propane
CID 57134062
(2S)-2-(tert-butylamino)-1-cyclohexylpropan-1-one
CID 138462216
1-cyclopropyl-2,4-dimethylpentane-1,3-dione
CID 64920290
(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
CID 59677798
(2S)-1-(3,4-dimethylcyclohexyl)-2-(methylamino)propan-1-one
CID 164654164
1-cyclopropyl-2-methylbut-3-en-1-one
CID 15467074
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
1-methoxy-3-methyl-1-oxo-2-(sulfinoamino)butane
CID 159607588
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(sulfinoamino)propanoyl]cyclopropane?
The IUPAC name of [(2S)-2-(sulfinoamino)propanoyl]cyclopropane (CID 57202481) is [(2S)-2-(sulfinoamino)propanoyl]cyclopropane.
What is the SMILES notation for [(2S)-2-(sulfinoamino)propanoyl]cyclopropane?
The canonical SMILES for [(2S)-2-(sulfinoamino)propanoyl]cyclopropane is C[C@H](NS(=O)O)C(=O)C1CC1.
What is the InChIKey of [(2S)-2-(sulfinoamino)propanoyl]cyclopropane?
The InChIKey is KZHJYOAUVBBXBY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-4(7-11(9)10)6(8)5-2-3-5/h4-5,7H,2-3H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of [(2S)-2-(sulfinoamino)propanoyl]cyclopropane?
[(2S)-2-(sulfinoamino)propanoyl]cyclopropane has a molecular weight of 177.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(sulfinoamino)propanoyl]cyclopropane is sourced from PubChem (CID 57202481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).