3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol

C11H16N2O4S2 — CID 114816456

IUPAC3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCOCCNS(=O)(=O)NCc1cc(C#CCO)cs1
InChIInChI=1S/C11H16N2O4S2/c1-17-6-4-12-19(15,16)13-8-11-7-10(9-18-11)3-2-5-14/h7,9,12-14H,4-6,8H2,1H3
InChIKeyDRRSMCQXPBXUDR-UHFFFAOYSA-N
MW304.39 g/mol
LogP-0.34
Rot. Bonds7

About 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 114816456) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID114816456
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCOCCNS(=O)(=O)NCc1cc(C#CCO)cs1
InChIInChI=1S/C11H16N2O4S2/c1-17-6-4-12-19(15,16)13-8-11-7-10(9-18-11)3-2-5-14/h7,9,12-14H,4-6,8H2,1H3
InChIKeyDRRSMCQXPBXUDR-UHFFFAOYSA-N
XLogP-0.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(3-hydroxyprop-1-ynyl)-2-[[2-methoxyethylsulfamoyl(methyl)amino]methyl]thiophene
CID 114816444
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methylsulfonylpropanamide
CID 104520948
4-chloro-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106315623
4-(3-hydroxyprop-1-ynyl)-2-[[methyl(methylsulfamoyl)amino]methyl]thiophene
CID 114811900
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 60824267
3-[5-chloro-2-(2-methoxyethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816474
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772919
4-hydroxy-N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3-methylbenzamide
CID 107672392
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-2-methoxypropanamide
CID 113374803
N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-1-methylsulfonylmethanesulfonamide
CID 82842277
ethyl N-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl-methylsulfamoyl]carbamate
CID 114465712

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 114816456) is 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol is COCCNS(=O)(=O)NCc1cc(C#CCO)cs1.
What is the InChIKey of 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is DRRSMCQXPBXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-17-6-4-12-19(15,16)13-8-11-7-10(9-18-11)3-2-5-14/h7,9,12-14H,4-6,8H2,1H3.
What are the key properties of 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 304.39 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methoxyethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 114816456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).