3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C15H20N2O2S2 — CID 61477476

IUPAC3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCCc2ccsc2)c1
InChIInChI=1S/C15H20N2O2S2/c1-2-15(16)13-4-3-5-14(10-13)21(18,19)17-8-6-12-7-9-20-11-12/h3-5,7,9-11,15,17H,2,6,8,16H2,1H3
InChIKeyBGGMYACILWCBGC-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.68
Rot. Bonds7

About 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide

3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 61477476) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID61477476
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCCc2ccsc2)c1
InChIInChI=1S/C15H20N2O2S2/c1-2-15(16)13-4-3-5-14(10-13)21(18,19)17-8-6-12-7-9-20-11-12/h3-5,7,9-11,15,17H,2,6,8,16H2,1H3
InChIKeyBGGMYACILWCBGC-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60872660
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
N-[2-(4-aminophenyl)ethyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120715784
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-(1-aminopropyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60873785
3-amino-4-nitro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 82847383
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494
N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide
CID 61474553
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 115588783

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 61477476) is 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)NCCc2ccsc2)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is BGGMYACILWCBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-2-15(16)13-4-3-5-14(10-13)21(18,19)17-8-6-12-7-9-20-11-12/h3-5,7,9-11,15,17H,2,6,8,16H2,1H3.
What are the key properties of 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61477476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).