tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate

C11H23NO4S — CID 86641981

IUPACtert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
SMILESCC(C)C[C@H](NS(C)(=O)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-8(2)7-9(12-17(6,14)15)10(13)16-11(3,4)5/h8-9,12H,7H2,1-6H3/t9-/m0/s1
InChIKeyIYDMZAPQQRTPBQ-VIFPVBQESA-N
MW265.38 g/mol
LogP1.29
Rot. Bonds5

About tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate

tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate (PubChem CID 86641981) has the molecular formula C11H23NO4S and a molecular weight of 265.38 g/mol. Its IUPAC name is tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
PubChem CID86641981
Molecular FormulaC11H23NO4S
Molecular Weight265.38 g/mol
Exact Mass265.13
IUPAC Nametert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
SMILESCC(C)C[C@H](NS(C)(=O)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4S/c1-8(2)7-9(12-17(6,14)15)10(13)16-11(3,4)5/h8-9,12H,7H2,1-6H3/t9-/m0/s1
InChIKeyIYDMZAPQQRTPBQ-VIFPVBQESA-N
XLogP1.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 14666516
tert-butyl 2-(ethylamino)-4-methylpentanoate
CID 142936593
tert-butyl (2S)-2-[(4-bromophenyl)sulfamoylamino]-4-methylpentanoate
CID 90397184
tert-butyl (2S)-2-(2,2-dimethylpropylamino)-4-methylpentanoate
CID 86641982
ditert-butyl (2S,3R)-2,3-bis(methanesulfonamido)butanedioate
CID 102512584
tert-butyl (2S)-4-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate
CID 10970738
tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 10767122
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
tert-butyl (2S)-2-(3-hydroxypropanoylamino)-4-methylpentanoate
CID 10753776

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate?
The IUPAC name of tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate (CID 86641981) is tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate.
What is the SMILES notation for tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate?
The canonical SMILES for tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate is CC(C)C[C@H](NS(C)(=O)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate?
The InChIKey is IYDMZAPQQRTPBQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO4S/c1-8(2)7-9(12-17(6,14)15)10(13)16-11(3,4)5/h8-9,12H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate?
tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate has a molecular weight of 265.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate is sourced from PubChem (CID 86641981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).