1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine

C14H24N2S — CID 106633990

IUPAC1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CCCCN2)s1
InChIInChI=1S/C14H24N2S/c1-11(9-14-7-6-12(2)17-14)16-10-13-5-3-4-8-15-13/h6-7,11,13,15-16H,3-5,8-10H2,1-2H3
InChIKeyQKIPECIOBJYDTP-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.72
Rot. Bonds5

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

1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106633990) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106633990
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCc1ccc(CC(C)NCC2CCCCN2)s1
InChIInChI=1S/C14H24N2S/c1-11(9-14-7-6-12(2)17-14)16-10-13-5-3-4-8-15-13/h6-7,11,13,15-16H,3-5,8-10H2,1-2H3
InChIKeyQKIPECIOBJYDTP-UHFFFAOYSA-N
XLogP2.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 82835174
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
CID 103157859
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
4-methyl-N-(piperidin-2-ylmethyl)hexan-2-amine
CID 106634056
N-(piperidin-2-ylmethyl)hexan-2-amine
CID 62199509
1-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633061
3-(piperidin-2-ylmethylamino)butanamide
CID 106634453
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106633990) is 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine is Cc1ccc(CC(C)NCC2CCCCN2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is QKIPECIOBJYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(9-14-7-6-12(2)17-14)16-10-13-5-3-4-8-15-13/h6-7,11,13,15-16H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine?
1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106633990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).