2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene

C8H11N3O2S2 — CID 114959544

IUPAC2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene
SMILESNCC#Cc1ccc(CNS(N)(=O)=O)s1
InChIInChI=1S/C8H11N3O2S2/c9-5-1-2-7-3-4-8(14-7)6-11-15(10,12)13/h3-4,11H,5-6,9H2,(H2,10,12,13)
InChIKeyCRFORXYFBNGLDM-UHFFFAOYSA-N
MW245.33 g/mol
LogP-0.65
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene

2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene (PubChem CID 114959544) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene
PubChem CID114959544
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Name2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene
SMILESNCC#Cc1ccc(CNS(N)(=O)=O)s1
InChIInChI=1S/C8H11N3O2S2/c9-5-1-2-7-3-4-8(14-7)6-11-15(10,12)13/h3-4,11H,5-6,9H2,(H2,10,12,13)
InChIKeyCRFORXYFBNGLDM-UHFFFAOYSA-N
XLogP-0.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 114812190
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361565
3-[5-[(2-methylpropylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 114816459
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-2-methylbenzamide
CID 82808927
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404202
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-chloro-2-methylbenzamide
CID 107098663
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361524
N-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811106
3-[5-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 66275053
3-[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 62777446
3-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310749
1-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methylpyrazine-2,3-dione
CID 62928401

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene (CID 114959544) is 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene is NCC#Cc1ccc(CNS(N)(=O)=O)s1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene?
The InChIKey is CRFORXYFBNGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c9-5-1-2-7-3-4-8(14-7)6-11-15(10,12)13/h3-4,11H,5-6,9H2,(H2,10,12,13).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene?
2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene has a molecular weight of 245.33 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-[(sulfamoylamino)methyl]thiophene is sourced from PubChem (CID 114959544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).