methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate

C10H22N2O4S — CID 114811481

IUPACmethyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
SMILESCCCC(C)(NS(=O)(=O)NC(C)C)C(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-6-7-10(4,9(13)16-5)12-17(14,15)11-8(2)3/h8,11-12H,6-7H2,1-5H3
InChIKeyUAISZAOZRCYEHO-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.55
Rot. Bonds7

About methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate

methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate (PubChem CID 114811481) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
PubChem CID114811481
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
SMILESCCCC(C)(NS(=O)(=O)NC(C)C)C(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-6-7-10(4,9(13)16-5)12-17(14,15)11-8(2)3/h8,11-12H,6-7H2,1-5H3
InChIKeyUAISZAOZRCYEHO-UHFFFAOYSA-N
XLogP0.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
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methyl 2-(ethylamino)-2-methylpentanoate
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CID 131859710
methyl 2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-methylpentanoate
CID 61457694
methyl 2-methyl-2-(oxolan-2-ylmethylsulfonylamino)pentanoate
CID 63247219
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431089
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-methylpentanoate
CID 43624453
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
CID 114806347
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
CID 106828159
methyl 2-(butan-2-ylamino)-2-methylheptanoate
CID 80557745

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate (CID 114811481) is methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate is CCCC(C)(NS(=O)(=O)NC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate?
The InChIKey is UAISZAOZRCYEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-6-7-10(4,9(13)16-5)12-17(14,15)11-8(2)3/h8,11-12H,6-7H2,1-5H3.
What are the key properties of methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate?
methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate has a molecular weight of 266.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate is sourced from PubChem (CID 114811481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).