3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine

C10H17NO2S2 — CID 65092881

IUPAC3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCS(=O)(=O)CCCNCc1cccs1
InChIInChI=1S/C10H17NO2S2/c1-2-15(12,13)8-4-6-11-9-10-5-3-7-14-10/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyKSGMWBWYRVLJOS-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.66
Rot. Bonds7

About 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine

3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 65092881) has the molecular formula C10H17NO2S2 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID65092881
Molecular FormulaC10H17NO2S2
Molecular Weight247.38 g/mol
Exact Mass247.07
IUPAC Name3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCS(=O)(=O)CCCNCc1cccs1
InChIInChI=1S/C10H17NO2S2/c1-2-15(12,13)8-4-6-11-9-10-5-3-7-14-10/h3,5,7,11H,2,4,6,8-9H2,1H3
InChIKeyKSGMWBWYRVLJOS-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 106512489
2-tert-butylsulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 115625748
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107757782
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 65092881) is 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine is CCS(=O)(=O)CCCNCc1cccs1.
What is the InChIKey of 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is KSGMWBWYRVLJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S2/c1-2-15(12,13)8-4-6-11-9-10-5-3-7-14-10/h3,5,7,11H,2,4,6,8-9H2,1H3.
What are the key properties of 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 65092881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).