N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine

C12H24N2S — CID 79715670

IUPACN-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
SMILESCCN(CC1CCNCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-2-14(12-5-8-15-10-12)9-11-3-6-13-7-4-11/h11-13H,2-10H2,1H3
InChIKeyXRNWSBVUZKZOCB-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine

N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine (PubChem CID 79715670) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
PubChem CID79715670
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
SMILESCCN(CC1CCNCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-2-14(12-5-8-15-10-12)9-11-3-6-13-7-4-11/h11-13H,2-10H2,1H3
InChIKeyXRNWSBVUZKZOCB-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
2-[ethyl(thiolan-3-yl)amino]ethanol
CID 121203695
2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 121203714
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine
CID 120835407
N-ethyl-N-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 63299374
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
N-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 79715470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine (CID 79715670) is N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine is CCN(CC1CCNCC1)C1CCSC1.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine?
The InChIKey is XRNWSBVUZKZOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-2-14(12-5-8-15-10-12)9-11-3-6-13-7-4-11/h11-13H,2-10H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine?
N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 79715670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).