5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide

C14H20N2O3S2 — CID 106072802

IUPAC5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1O2)c1csc(CNC2CC2)c1
InChIInChI=1S/C14H20N2O3S2/c17-21(18,16-13-5-10-3-4-14(13)19-10)12-6-11(20-8-12)7-15-9-1-2-9/h6,8-10,13-16H,1-5,7H2
InChIKeyIVYFTMMRAOJVGZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.60
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide

5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide (PubChem CID 106072802) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
PubChem CID106072802
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1O2)c1csc(CNC2CC2)c1
InChIInChI=1S/C14H20N2O3S2/c17-21(18,16-13-5-10-3-4-14(13)19-10)12-6-11(20-8-12)7-15-9-1-2-9/h6,8-10,13-16H,1-5,7H2
InChIKeyIVYFTMMRAOJVGZ-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)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

Benzene-1,4-disulfonic acid 1-cyclopentylamide 4-[(tetrahydro-furan-2-ylmethyl)-thiophen-2-ylmethyl-amide]
CID 648468
4-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189952
1-N-cyclopentyl-4-N-[[(2R)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176426
4-N-cyclopropyl-1-N-[[(2R)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176758
4-N-cyclopropyl-1-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176759
1-N-cyclopentyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 1374248
N-[[4-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 65747931
N-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 65748657
N-[[4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 65758589
N-[[4-(2-ethylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 65758598
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-4-yl)thiophene-3-sulfonamide
CID 65772013
5-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)thiophene-3-sulfonamide
CID 65778313

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide (CID 106072802) is 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide is O=S(=O)(NC1CC2CCC1O2)c1csc(CNC2CC2)c1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide?
The InChIKey is IVYFTMMRAOJVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c17-21(18,16-13-5-10-3-4-14(13)19-10)12-6-11(20-8-12)7-15-9-1-2-9/h6,8-10,13-16H,1-5,7H2.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106072802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).