2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide

C12H17N5O2S2 — CID 106077237

IUPAC2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccsc1CNC1CC1
InChIInChI=1S/C12H17N5O2S2/c18-21(19,15-5-7-17-6-4-14-16-17)12-3-8-20-11(12)9-13-10-1-2-10/h3-4,6,8,10,13,15H,1-2,5,7,9H2
InChIKeyPGOCHPDOXVLNTI-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.57
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106077237) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106077237
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCn1ccnn1)c1ccsc1CNC1CC1
InChIInChI=1S/C12H17N5O2S2/c18-21(19,15-5-7-17-6-4-14-16-17)12-3-8-20-11(12)9-13-10-1-2-10/h3-4,6,8,10,13,15H,1-2,5,7,9H2
InChIKeyPGOCHPDOXVLNTI-UHFFFAOYSA-N
XLogP0.57
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106068037
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 114135368
2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
CID 106218686
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824
5-[2-(triazol-1-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 113412441

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide (CID 106077237) is 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide is O=S(=O)(NCCn1ccnn1)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is PGOCHPDOXVLNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c18-21(19,15-5-7-17-6-4-14-16-17)12-3-8-20-11(12)9-13-10-1-2-10/h3-4,6,8,10,13,15H,1-2,5,7,9H2.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106077237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).