N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine

C13H23NO2S2 — CID 107757361

IUPACN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
SMILESCC(C)C(C)S(=O)(=O)CCNCCc1cccs1
InChIInChI=1S/C13H23NO2S2/c1-11(2)12(3)18(15,16)10-8-14-7-6-13-5-4-9-17-13/h4-5,9,11-12,14H,6-8,10H2,1-3H3
InChIKeyXBYGTUGOVPMHCK-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 107757361) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID107757361
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC NameN-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine
SMILESCC(C)C(C)S(=O)(=O)CCNCCc1cccs1
InChIInChI=1S/C13H23NO2S2/c1-11(2)12(3)18(15,16)10-8-14-7-6-13-5-4-9-17-13/h4-5,9,11-12,14H,6-8,10H2,1-3H3
InChIKeyXBYGTUGOVPMHCK-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.34
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-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
2-(2-thiophen-2-ylethylsulfonyl)propan-1-amine
CID 81187038
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107757782
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
CID 104806086
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine (CID 107757361) is N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine is CC(C)C(C)S(=O)(=O)CCNCCc1cccs1.
What is the InChIKey of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is XBYGTUGOVPMHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-11(2)12(3)18(15,16)10-8-14-7-6-13-5-4-9-17-13/h4-5,9,11-12,14H,6-8,10H2,1-3H3.
What are the key properties of N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 107757361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).