4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide

C12H24N2OS — CID 115587885

IUPAC4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
SMILESCCC1CCN(C(=S)NCCCOC)CC1
InChIInChI=1S/C12H24N2OS/c1-3-11-5-8-14(9-6-11)12(16)13-7-4-10-15-2/h11H,3-10H2,1-2H3,(H,13,16)
InChIKeyBJSCQNXHIHKKQM-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.02
Rot. Bonds5

About 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide

4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide (PubChem CID 115587885) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
PubChem CID115587885
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
SMILESCCC1CCN(C(=S)NCCCOC)CC1
InChIInChI=1S/C12H24N2OS/c1-3-11-5-8-14(9-6-11)12(16)13-7-4-10-15-2/h11H,3-10H2,1-2H3,(H,13,16)
InChIKeyBJSCQNXHIHKKQM-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-propylazepane-1-carbothioamide
CID 115598192
4-tert-butyl-N-(3-methoxypropyl)piperidine-1-carbothioamide
CID 113236851
4-(cyclopropylmethyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide
CID 115587768
4-[(dimethylamino)methyl]-N-(2-methoxyethyl)piperidine-1-carbothioamide
CID 113224046
N-(3-methoxypropyl)-3-morpholin-4-ylpyrrolidine-1-carbothioamide
CID 115648781
N-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbothioamide
CID 115690715
N-(3-methoxypropyl)-2-methylthiomorpholine-4-carbothioamide
CID 115611482
(2R,6R)-N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 51389640
N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 4767625
4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191985
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
N-(3-ethoxypropyl)-3,5-dimethylpiperidine-1-carbothioamide
CID 75849537

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide?
The IUPAC name of 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide (CID 115587885) is 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide.
What is the SMILES notation for 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide?
The canonical SMILES for 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide is CCC1CCN(C(=S)NCCCOC)CC1.
What is the InChIKey of 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide?
The InChIKey is BJSCQNXHIHKKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-11-5-8-14(9-6-11)12(16)13-7-4-10-15-2/h11H,3-10H2,1-2H3,(H,13,16).
What are the key properties of 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide?
4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide has a molecular weight of 244.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methoxypropyl)piperidine-1-carbothioamide is sourced from PubChem (CID 115587885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).