N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine

C14H19NO2S3 — CID 64629979

IUPACN-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C14H19NO2S3/c1-11(10-20(2,16)17)15-13(14-6-4-8-19-14)9-12-5-3-7-18-12/h3-8,11,13,15H,9-10H2,1-2H3
InChIKeyFILGHZICVQGIAQ-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.12
Rot. Bonds7

About N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine

N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine (PubChem CID 64629979) has the molecular formula C14H19NO2S3 and a molecular weight of 329.51 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
PubChem CID64629979
Molecular FormulaC14H19NO2S3
Molecular Weight329.51 g/mol
Exact Mass329.06
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C14H19NO2S3/c1-11(10-20(2,16)17)15-13(14-6-4-8-19-14)9-12-5-3-7-18-12/h3-8,11,13,15H,9-10H2,1-2H3
InChIKeyFILGHZICVQGIAQ-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
3-(1,2-dithiophen-2-ylethylamino)-4-methylpentan-1-ol
CID 103786463
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine (CID 64629979) is N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NC(Cc1cccs1)c1cccs1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine?
The InChIKey is FILGHZICVQGIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S3/c1-11(10-20(2,16)17)15-13(14-6-4-8-19-14)9-12-5-3-7-18-12/h3-8,11,13,15H,9-10H2,1-2H3.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine?
N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine has a molecular weight of 329.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64629979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).