N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine

C8H16N2O3S — CID 106223265

IUPACN-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
SMILESC#CCCCNS(=O)(=O)NCCOC
InChIInChI=1S/C8H16N2O3S/c1-3-4-5-6-9-14(11,12)10-7-8-13-2/h1,9-10H,4-8H2,2H3
InChIKeyXBGGECKNPUUKOL-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.53
Rot. Bonds8

About N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine

N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine (PubChem CID 106223265) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
PubChem CID106223265
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
SMILESC#CCCCNS(=O)(=O)NCCOC
InChIInChI=1S/C8H16N2O3S/c1-3-4-5-6-9-14(11,12)10-7-8-13-2/h1,9-10H,4-8H2,2H3
InChIKeyXBGGECKNPUUKOL-UHFFFAOYSA-N
XLogP-0.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
1-chloro-N-pent-4-ynylmethanesulfonamide
CID 106223218
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
N-(2-methoxyethyl)sulfamoyl chloride
CID 22326608
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine?
The IUPAC name of N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine (CID 106223265) is N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine is C#CCCCNS(=O)(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine?
The InChIKey is XBGGECKNPUUKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-3-4-5-6-9-14(11,12)10-7-8-13-2/h1,9-10H,4-8H2,2H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine?
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine has a molecular weight of 220.29 g/mol, XLogP of -0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine is sourced from PubChem (CID 106223265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).