N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine

C13H23NO2S2 — CID 107757631

IUPACN-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCCC(C)CS(=O)(=O)CCNC(C)c1cccs1
InChIInChI=1S/C13H23NO2S2/c1-4-11(2)10-18(15,16)9-7-14-12(3)13-6-5-8-17-13/h5-6,8,11-12,14H,4,7,9-10H2,1-3H3
InChIKeySECRRJBBWHRYFW-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.86
Rot. Bonds8

About N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine

N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 107757631) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID107757631
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC NameN-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine
SMILESCCC(C)CS(=O)(=O)CCNC(C)c1cccs1
InChIInChI=1S/C13H23NO2S2/c1-4-11(2)10-18(15,16)9-7-14-12(3)13-6-5-8-17-13/h5-6,8,11-12,14H,4,7,9-10H2,1-3H3
InChIKeySECRRJBBWHRYFW-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79482754
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-ethyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107757587
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
4-(2-methylbutylsulfonyl)-1-thiophen-2-ylbutan-1-one
CID 107767773
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine (CID 107757631) is N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine is CCC(C)CS(=O)(=O)CCNC(C)c1cccs1.
What is the InChIKey of N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is SECRRJBBWHRYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-4-11(2)10-18(15,16)9-7-14-12(3)13-6-5-8-17-13/h5-6,8,11-12,14H,4,7,9-10H2,1-3H3.
What are the key properties of N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutylsulfonyl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 107757631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).