2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide

C12H17N5O2S2 — CID 106068037

IUPAC2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1ccsc1CNC1CC1
InChIInChI=1S/C12H17N5O2S2/c18-21(19,16-5-3-12-14-8-15-17-12)11-4-6-20-10(11)7-13-9-1-2-9/h4,6,8-9,13,16H,1-3,5,7H2,(H,14,15,17)
InChIKeyQZJMHXPNLXTJCI-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.64
Rot. Bonds8

About 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106068037) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106068037
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1ccsc1CNC1CC1
InChIInChI=1S/C12H17N5O2S2/c18-21(19,16-5-3-12-14-8-15-17-12)11-4-6-20-10(11)7-13-9-1-2-9/h4,6,8-9,13,16H,1-3,5,7H2,(H,14,15,17)
InChIKeyQZJMHXPNLXTJCI-UHFFFAOYSA-N
XLogP0.64
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
5-[(cyclopropylamino)methyl]-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013527
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64531519
2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 64548188
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
2-amino-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64525550

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide (CID 106068037) is 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide is O=S(=O)(NCCc1ncn[nH]1)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is QZJMHXPNLXTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c18-21(19,16-5-3-12-14-8-15-17-12)11-4-6-20-10(11)7-13-9-1-2-9/h4,6,8-9,13,16H,1-3,5,7H2,(H,14,15,17).
What are the key properties of 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106068037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).