2-(methylsulfamoylamino)pent-4-ynoic acid

C6H10N2O4S — CID 114806925

IUPAC2-(methylsulfamoylamino)pent-4-ynoic acid
SMILESC#CCC(NS(=O)(=O)NC)C(=O)O
InChIInChI=1S/C6H10N2O4S/c1-3-4-5(6(9)10)8-13(11,12)7-2/h1,5,7-8H,4H2,2H3,(H,9,10)
InChIKeyZEIDCEJABDYDFI-UHFFFAOYSA-N
MW206.22 g/mol
LogP-1.48
Rot. Bonds5

About 2-(methylsulfamoylamino)pent-4-ynoic acid

2-(methylsulfamoylamino)pent-4-ynoic acid (PubChem CID 114806925) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)pent-4-ynoic acid.

Molecular Properties

Compound Name2-(methylsulfamoylamino)pent-4-ynoic acid
PubChem CID114806925
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-(methylsulfamoylamino)pent-4-ynoic acid
SMILESC#CCC(NS(=O)(=O)NC)C(=O)O
InChIInChI=1S/C6H10N2O4S/c1-3-4-5(6(9)10)8-13(11,12)7-2/h1,5,7-8H,4H2,2H3,(H,9,10)
InChIKeyZEIDCEJABDYDFI-UHFFFAOYSA-N
XLogP-1.48
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoic acid
CID 10978432
2-(4,4,4-trifluorobutylsulfonylamino)pent-4-ynoic acid
CID 83068112
2-(carbamoylamino)pent-4-ynoic acid
CID 56660957
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]pent-4-ynoic acid
CID 106466120
2-methylpent-4-ynoic acid;hydrochloride
CID 88647692
2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 3513171
2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
CID 106265822
2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]pent-4-ynoic acid
CID 103087832
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2R)-2-(hex-5-yn-3-ylcarbamoylamino)-4-methylpentanoic acid
CID 104864322
(2S)-2-[[(1S)-1-carboxybut-3-ynyl]carbamoylamino]-6-(methylamino)hexanoic acid
CID 162474842

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)pent-4-ynoic acid?
The IUPAC name of 2-(methylsulfamoylamino)pent-4-ynoic acid (CID 114806925) is 2-(methylsulfamoylamino)pent-4-ynoic acid.
What is the SMILES notation for 2-(methylsulfamoylamino)pent-4-ynoic acid?
The canonical SMILES for 2-(methylsulfamoylamino)pent-4-ynoic acid is C#CCC(NS(=O)(=O)NC)C(=O)O.
What is the InChIKey of 2-(methylsulfamoylamino)pent-4-ynoic acid?
The InChIKey is ZEIDCEJABDYDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-3-4-5(6(9)10)8-13(11,12)7-2/h1,5,7-8H,4H2,2H3,(H,9,10).
What are the key properties of 2-(methylsulfamoylamino)pent-4-ynoic acid?
2-(methylsulfamoylamino)pent-4-ynoic acid has a molecular weight of 206.22 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)pent-4-ynoic acid is sourced from PubChem (CID 114806925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).