5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide

C13H20N2O4S2 — CID 106016674

IUPAC5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC1COCCO1)c1csc(CNC2CC2)c1
InChIInChI=1S/C13H20N2O4S2/c16-21(17,15-6-11-8-18-3-4-19-11)13-5-12(20-9-13)7-14-10-1-2-10/h5,9-11,14-15H,1-4,6-8H2
InChIKeyLMQFNINZEZSEOK-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.69
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106016674) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID106016674
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC1COCCO1)c1csc(CNC2CC2)c1
InChIInChI=1S/C13H20N2O4S2/c16-21(17,15-6-11-8-18-3-4-19-11)13-5-12(20-9-13)7-14-10-1-2-10/h5,9-11,14-15H,1-4,6-8H2
InChIKeyLMQFNINZEZSEOK-UHFFFAOYSA-N
XLogP0.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 114134433
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
CID 94606731
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
5-[(cyclopropylamino)methyl]-N-(4-iodophenyl)thiophene-3-sulfonamide
CID 106029625
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
5-[(cyclopropylamino)methyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093537
5-[(cyclopropylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-3-sulfonamide
CID 106081150
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide (CID 106016674) is 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide is O=S(=O)(NCC1COCCO1)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is LMQFNINZEZSEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c16-21(17,15-6-11-8-18-3-4-19-11)13-5-12(20-9-13)7-14-10-1-2-10/h5,9-11,14-15H,1-4,6-8H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.69, 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-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106016674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).