methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate

C10H13N3O4S2 — CID 114465852

IUPACmethyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCc1sccc1C#CCN
InChIInChI=1S/C10H13N3O4S2/c1-17-10(14)13-19(15,16)12-7-9-8(3-2-5-11)4-6-18-9/h4,6,12H,5,7,11H2,1H3,(H,13,14)
InChIKeyIUKIGWZAVOQNND-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.25
Rot. Bonds4

About methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate

methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate (PubChem CID 114465852) has the molecular formula C10H13N3O4S2 and a molecular weight of 303.37 g/mol. Its IUPAC name is methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate
PubChem CID114465852
Molecular FormulaC10H13N3O4S2
Molecular Weight303.37 g/mol
Exact Mass303.03
IUPAC Namemethyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCc1sccc1C#CCN
InChIInChI=1S/C10H13N3O4S2/c1-17-10(14)13-19(15,16)12-7-9-8(3-2-5-11)4-6-18-9/h4,6,12H,5,7,11H2,1H3,(H,13,14)
InChIKeyIUKIGWZAVOQNND-UHFFFAOYSA-N
XLogP-0.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]-2-methylpropan-2-amine
CID 114812208
4-[2-[(methylsulfamoylamino)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 114811971
methyl N-[[4-(3-aminoprop-1-ynyl)-3-methylphenyl]sulfamoyl]carbamate
CID 114465787
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
CID 82988192
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide
CID 105064279
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209984
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydroxybenzamide
CID 107728882
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107964048
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyridazine-4-carboxamide
CID 104671884
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 104521002
3-(3-aminoprop-1-ynyl)-N-(3-methylsulfonylpropyl)thiophene-2-carboxamide
CID 55238612
methyl 2-[[3-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]-ethylamino]acetate
CID 63801626

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate?
The IUPAC name of methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate (CID 114465852) is methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate is COC(=O)NS(=O)(=O)NCc1sccc1C#CCN.
What is the InChIKey of methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate?
The InChIKey is IUKIGWZAVOQNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S2/c1-17-10(14)13-19(15,16)12-7-9-8(3-2-5-11)4-6-18-9/h4,6,12H,5,7,11H2,1H3,(H,13,14).
What are the key properties of methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate?
methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate has a molecular weight of 303.37 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methylsulfamoyl]carbamate is sourced from PubChem (CID 114465852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).