1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine

C16H28N2S — CID 103505344

IUPAC1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCC(C(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-11(2)14-5-8-18(9-6-14)15(13(4)17)16-12(3)7-10-19-16/h7,10-11,13-15H,5-6,8-9,17H2,1-4H3
InChIKeyDVPUFBDXZSMYKW-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine

1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine (PubChem CID 103505344) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
PubChem CID103505344
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCC(C(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-11(2)14-5-8-18(9-6-14)15(13(4)17)16-12(3)7-10-19-16/h7,10-11,13-15H,5-6,8-9,17H2,1-4H3
InChIKeyDVPUFBDXZSMYKW-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 113416980
1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62133189
4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-2,6-dione
CID 66085243
1-(3-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102743026
1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 63603317
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 82746364
2-[2-amino-1-(3-methylthiophen-2-yl)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81100142
tert-butyl 4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-1-carboxylate
CID 104933492
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66391668
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 115558987
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 102882835

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine (CID 103505344) is 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine is Cc1ccsc1C(C(C)N)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
The InChIKey is DVPUFBDXZSMYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11(2)14-5-8-18(9-6-14)15(13(4)17)16-12(3)7-10-19-16/h7,10-11,13-15H,5-6,8-9,17H2,1-4H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine?
1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 103505344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).