N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine

C12H26N2S — CID 106622572

IUPACN-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCN(CCCSC)CC1CCCCN1
InChIInChI=1S/C12H26N2S/c1-3-14(9-6-10-15-2)11-12-7-4-5-8-13-12/h12-13H,3-11H2,1-2H3
InChIKeyTWYJSDYDTFRLNX-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds7

About N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine

N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106622572) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106622572
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCN(CCCSC)CC1CCCCN1
InChIInChI=1S/C12H26N2S/c1-3-14(9-6-10-15-2)11-12-7-4-5-8-13-12/h12-13H,3-11H2,1-2H3
InChIKeyTWYJSDYDTFRLNX-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106615318
N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635829
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513
3-[ethyl(piperidin-2-ylmethyl)amino]-2-methylpropanenitrile
CID 106632376
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106622572) is N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine is CCN(CCCSC)CC1CCCCN1.
What is the InChIKey of N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is TWYJSDYDTFRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-14(9-6-10-15-2)11-12-7-4-5-8-13-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine?
N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfanyl-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106622572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).