1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine

C13H23NO2S2 — CID 106723805

IUPAC1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)Cc1ccc(C)s1
InChIInChI=1S/C13H23NO2S2/c1-4-8-18(15,16)9-7-14-11(2)10-13-6-5-12(3)17-13/h5-6,11,14H,4,7-10H2,1-3H3
InChIKeyPEVIALSCTIGQDJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.40
Rot. Bonds8

About 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine

1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine (PubChem CID 106723805) has the molecular formula C13H23NO2S2 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
PubChem CID106723805
Molecular FormulaC13H23NO2S2
Molecular Weight289.47 g/mol
Exact Mass289.12
IUPAC Name1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)Cc1ccc(C)s1
InChIInChI=1S/C13H23NO2S2/c1-4-8-18(15,16)9-7-14-11(2)10-13-6-5-12(3)17-13/h5-6,11,14H,4,7-10H2,1-3H3
InChIKeyPEVIALSCTIGQDJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
CID 106069012
4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
CID 114135134
N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 65444462
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
1-(5-methylthiophen-2-yl)-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79223017
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
(1S)-N-(2-propylsulfonylethyl)-1-thiophen-2-ylethanamine
CID 102978164
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine (CID 106723805) is 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine is CCCS(=O)(=O)CCNC(C)Cc1ccc(C)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine?
The InChIKey is PEVIALSCTIGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S2/c1-4-8-18(15,16)9-7-14-11(2)10-13-6-5-12(3)17-13/h5-6,11,14H,4,7-10H2,1-3H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine?
1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 106723805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).