2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate

C10H22N2O4S — CID 99799822

IUPAC2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate
SMILESCC(C)[C@H](C(=O)OCCNS(C)(=O)=O)N(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)9(12(3)4)10(13)16-7-6-11-17(5,14)15/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyCINWJWUEZVXIPA-SECBINFHSA-N
MW266.36 g/mol
LogP-0.34
Rot. Bonds7

About 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate

2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate (PubChem CID 99799822) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate.

Molecular Properties

Compound Name2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate
PubChem CID99799822
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate
SMILESCC(C)[C@H](C(=O)OCCNS(C)(=O)=O)N(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)9(12(3)4)10(13)16-7-6-11-17(5,14)15/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyCINWJWUEZVXIPA-SECBINFHSA-N
XLogP-0.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate?
The IUPAC name of 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate (CID 99799822) is 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate.
What is the SMILES notation for 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate?
The canonical SMILES for 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate is CC(C)[C@H](C(=O)OCCNS(C)(=O)=O)N(C)C.
What is the InChIKey of 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate?
The InChIKey is CINWJWUEZVXIPA-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)9(12(3)4)10(13)16-7-6-11-17(5,14)15/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate?
2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate has a molecular weight of 266.36 g/mol, XLogP of -0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)ethyl (2R)-2-(dimethylamino)-3-methylbutanoate is sourced from PubChem (CID 99799822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).