methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate

C6H13ClN2O4S — CID 18727226

IUPACmethyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate
SMILESCOC(=O)[C@H](NNS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C6H13ClN2O4S/c1-4(2)5(6(10)13-3)8-9-14(7,11)12/h4-5,8-9H,1-3H3/t5-/m1/s1
InChIKeyRGELJBFITNECKK-RXMQYKEDSA-N
MW244.70 g/mol
LogP-0.24
Rot. Bonds5

About methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate

methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate (PubChem CID 18727226) has the molecular formula C6H13ClN2O4S and a molecular weight of 244.70 g/mol. Its IUPAC name is methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate
PubChem CID18727226
Molecular FormulaC6H13ClN2O4S
Molecular Weight244.70 g/mol
Exact Mass244.03
IUPAC Namemethyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate
SMILESCOC(=O)[C@H](NNS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C6H13ClN2O4S/c1-4(2)5(6(10)13-3)8-9-14(7,11)12/h4-5,8-9H,1-3H3/t5-/m1/s1
InChIKeyRGELJBFITNECKK-RXMQYKEDSA-N
XLogP-0.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
methyl (2S)-2-[(1-hydroxy-2-methylpropyl)amino]-3-methylbutanoate
CID 165095500
methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
CID 114811428
methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
CID 173263875
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
methyl 2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutanoate
CID 79360906
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
methyl 2-[[(E)-4-chlorobut-2-enyl]amino]-3-methylbutanoate
CID 81430677
methyl (2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutanoate
CID 113353339
methyl (2S)-2-[[(2R,3R)-2,3-dihydroxy-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate
CID 102349924

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate (CID 18727226) is methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate is COC(=O)[C@H](NNS(=O)(=O)Cl)C(C)C.
What is the InChIKey of methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate?
The InChIKey is RGELJBFITNECKK-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13ClN2O4S/c1-4(2)5(6(10)13-3)8-9-14(7,11)12/h4-5,8-9H,1-3H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate?
methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate has a molecular weight of 244.70 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-chlorosulfonylhydrazinyl)-3-methylbutanoate is sourced from PubChem (CID 18727226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).