N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide

C13H24N2OS — CID 106629562

IUPACN-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)C1CCSC1
InChIInChI=1S/C13H24N2OS/c1-2-15(9-11-4-3-6-14-8-11)13(16)12-5-7-17-10-12/h11-12,14H,2-10H2,1H3
InChIKeyBFEHDJUUNCJJIU-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.59
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide

N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide (PubChem CID 106629562) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
PubChem CID106629562
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)C1CCSC1
InChIInChI=1S/C13H24N2OS/c1-2-15(9-11-4-3-6-14-8-11)13(16)12-5-7-17-10-12/h11-12,14H,2-10H2,1H3
InChIKeyBFEHDJUUNCJJIU-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-ethylpiperidine-3-carboxamide;hydrochloride
CID 119324240
N-ethyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106629590
N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
N,N-diethylpiperidine-3-carboxamide
CID 18793
N,N-diethylthiane-3-carboxamide
CID 110855161
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978
N-ethyl-3-methoxy-N-(piperidin-3-ylmethyl)propanamide
CID 106629400
N-ethyl-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 106629361
N-(cyclohexylmethyl)-N-propylpiperidine-3-carboxamide
CID 119302238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide (CID 106629562) is N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide is CCN(CC1CCCNC1)C(=O)C1CCSC1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide?
The InChIKey is BFEHDJUUNCJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-15(9-11-4-3-6-14-8-11)13(16)12-5-7-17-10-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide?
N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.59, 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-3-ylmethyl)thiolane-3-carboxamide is sourced from PubChem (CID 106629562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).