methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate

C10H21NO4S — CID 64585319

IUPACmethyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
SMILESCCC(C)C(NS(=O)(=O)C(C)C)C(=O)OC
InChIInChI=1S/C10H21NO4S/c1-6-8(4)9(10(12)15-5)11-16(13,14)7(2)3/h7-9,11H,6H2,1-5H3
InChIKeyQLYKOJFIEIEAJM-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.90
Rot. Bonds6

About methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate

methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate (PubChem CID 64585319) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
PubChem CID64585319
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namemethyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
SMILESCCC(C)C(NS(=O)(=O)C(C)C)C(=O)OC
InChIInChI=1S/C10H21NO4S/c1-6-8(4)9(10(12)15-5)11-16(13,14)7(2)3/h7-9,11H,6H2,1-5H3
InChIKeyQLYKOJFIEIEAJM-UHFFFAOYSA-N
XLogP0.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
CID 43716066
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784
(2S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 61173996
methyl (2S,3R)-3-methyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]pentanoate
CID 1381360
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510
methyl 3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]pentanoate
CID 42912941
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
methyl 2-(1-methoxypropan-2-ylamino)-3-methylpentanoate
CID 62535658
methyl 2-[[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-3-methylpentanoate
CID 139616359
methyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 60639366
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate (CID 64585319) is methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate is CCC(C)C(NS(=O)(=O)C(C)C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate?
The InChIKey is QLYKOJFIEIEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-6-8(4)9(10(12)15-5)11-16(13,14)7(2)3/h7-9,11H,6H2,1-5H3.
What are the key properties of methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate?
methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate has a molecular weight of 251.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate is sourced from PubChem (CID 64585319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).