N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine

C12H26N2S — CID 106640432

IUPACN-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCSC)CC1CCCNC1
InChIInChI=1S/C12H26N2S/c1-3-7-14(8-9-15-2)11-12-5-4-6-13-10-12/h12-13H,3-11H2,1-2H3
InChIKeyVYZZGZOKBQSUMU-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds7

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

N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106640432) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106640432
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CCSC)CC1CCCNC1
InChIInChI=1S/C12H26N2S/c1-3-7-14(8-9-15-2)11-12-5-4-6-13-10-12/h12-13H,3-11H2,1-2H3
InChIKeyVYZZGZOKBQSUMU-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methylsulfanyl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 106624526
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
CID 106640928
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639574
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-(oxan-2-ylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 113267802
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-(piperidin-3-ylmethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106640717
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106640729
N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628049
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106640432) is N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CCSC)CC1CCCNC1.
What is the InChIKey of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is VYZZGZOKBQSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-7-14(8-9-15-2)11-12-5-4-6-13-10-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106640432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).