N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine

C13H26N2S — CID 103062700

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine
SMILESCCN1CCCC(C(C)NC2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-3-15-7-4-5-12(9-15)11(2)14-13-6-8-16-10-13/h11-14H,3-10H2,1-2H3
InChIKeyMKZXBRDXVUMGFV-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine

N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine (PubChem CID 103062700) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine
PubChem CID103062700
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine
SMILESCCN1CCCC(C(C)NC2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-3-15-7-4-5-12(9-15)11(2)14-13-6-8-16-10-13/h11-14H,3-10H2,1-2H3
InChIKeyMKZXBRDXVUMGFV-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965774
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methylpropan-1-amine
CID 43307395
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylpiperazin-1-amine
CID 83010506
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43308557
N-[1-(1-ethylpiperidin-3-yl)ethyl]octan-1-amine
CID 115566809
N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methoxypropan-1-amine
CID 102696931

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine (CID 103062700) is N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine is CCN1CCCC(C(C)NC2CCSC2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine?
The InChIKey is MKZXBRDXVUMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-15-7-4-5-12(9-15)11(2)14-13-6-8-16-10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103062700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).