2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine

C14H17NO2S2 — CID 106512291

IUPAC2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17NO2S2/c1-12(10-15-11-13-6-5-9-18-13)19(16,17)14-7-3-2-4-8-14/h2-9,12,15H,10-11H2,1H3
InChIKeyYDECKOFKBIRGAA-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.70
Rot. Bonds6

About 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 106512291) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID106512291
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17NO2S2/c1-12(10-15-11-13-6-5-9-18-13)19(16,17)14-7-3-2-4-8-14/h2-9,12,15H,10-11H2,1H3
InChIKeyYDECKOFKBIRGAA-UHFFFAOYSA-N
XLogP2.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 107757818
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593
2-methoxy-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 55038163
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 106512291) is 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is YDECKOFKBIRGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-12(10-15-11-13-6-5-9-18-13)19(16,17)14-7-3-2-4-8-14/h2-9,12,15H,10-11H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106512291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).