5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide

C13H18N4O2S2 — CID 106018237

IUPAC5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2csc(CNC3CC3)c2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-17-8-10(5-15-17)6-16-21(18,19)13-4-12(20-9-13)7-14-11-2-3-11/h4-5,8-9,11,14,16H,2-3,6-7H2,1H3
InChIKeyZSOSSVDTMJMQCF-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.21
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106018237) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
PubChem CID106018237
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESCn1cc(CNS(=O)(=O)c2csc(CNC3CC3)c2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-17-8-10(5-15-17)6-16-21(18,19)13-4-12(20-9-13)7-14-11-2-3-11/h4-5,8-9,11,14,16H,2-3,6-7H2,1H3
InChIKeyZSOSSVDTMJMQCF-UHFFFAOYSA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106076432
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106060980
5-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063931
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106079368
5-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028540

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide (CID 106018237) is 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide is Cn1cc(CNS(=O)(=O)c2csc(CNC3CC3)c2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is ZSOSSVDTMJMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-17-8-10(5-15-17)6-16-21(18,19)13-4-12(20-9-13)7-14-11-2-3-11/h4-5,8-9,11,14,16H,2-3,6-7H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106018237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).