ethyl 2-(3-methylbutylsulfonylamino)propanoate

C10H21NO4S — CID 55259465

IUPACethyl 2-(3-methylbutylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H21NO4S/c1-5-15-10(12)9(4)11-16(13,14)7-6-8(2)3/h8-9,11H,5-7H2,1-4H3
InChIKeyXBHJVNMRPAZFAP-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.90
Rot. Bonds7

About ethyl 2-(3-methylbutylsulfonylamino)propanoate

ethyl 2-(3-methylbutylsulfonylamino)propanoate (PubChem CID 55259465) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is ethyl 2-(3-methylbutylsulfonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-methylbutylsulfonylamino)propanoate
PubChem CID55259465
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-(3-methylbutylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C10H21NO4S/c1-5-15-10(12)9(4)11-16(13,14)7-6-8(2)3/h8-9,11H,5-7H2,1-4H3
InChIKeyXBHJVNMRPAZFAP-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylsulfonylmethylsulfonylamino)propanoate
CID 82842273
ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
N-(2-methoxyethoxy)-2-(propylsulfonylamino)propanamide
CID 79675663
methyl 2-(bromomethylsulfonylamino)propanoate
CID 83085959
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)sulfamoylamino]-3-methylbutanoate
CID 22627927
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
ethyl 2-[propan-2-yl-[2-(propylsulfonylamino)propanoyl]amino]acetate
CID 61022871
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylbutylsulfonylamino)propanoate?
The IUPAC name of ethyl 2-(3-methylbutylsulfonylamino)propanoate (CID 55259465) is ethyl 2-(3-methylbutylsulfonylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-methylbutylsulfonylamino)propanoate?
The canonical SMILES for ethyl 2-(3-methylbutylsulfonylamino)propanoate is CCOC(=O)C(C)NS(=O)(=O)CCC(C)C.
What is the InChIKey of ethyl 2-(3-methylbutylsulfonylamino)propanoate?
The InChIKey is XBHJVNMRPAZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-15-10(12)9(4)11-16(13,14)7-6-8(2)3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(3-methylbutylsulfonylamino)propanoate?
ethyl 2-(3-methylbutylsulfonylamino)propanoate has a molecular weight of 251.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylbutylsulfonylamino)propanoate is sourced from PubChem (CID 55259465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).