3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide

C12H24N2OS — CID 115580652

IUPAC3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
SMILESCCC1CCCN(C(=S)NC(C)COC)C1
InChIInChI=1S/C12H24N2OS/c1-4-11-6-5-7-14(8-11)12(16)13-10(2)9-15-3/h10-11H,4-9H2,1-3H3,(H,13,16)
InChIKeyCGRLXVPOOHJAQG-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.02
Rot. Bonds4

About 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide

3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide (PubChem CID 115580652) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
PubChem CID115580652
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
SMILESCCC1CCCN(C(=S)NC(C)COC)C1
InChIInChI=1S/C12H24N2OS/c1-4-11-6-5-7-14(8-11)12(16)13-10(2)9-15-3/h10-11H,4-9H2,1-3H3,(H,13,16)
InChIKeyCGRLXVPOOHJAQG-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-4-propylazepane-1-carbothioamide
CID 115598191
3-ethoxy-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide
CID 113227054
N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carbothioamide
CID 113230370
3-ethyl-N-methylpiperidine-1-carbothioamide
CID 115580649
N-(1-methoxypropan-2-yl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 115570223
4-butan-2-yl-N-(1-methoxypropan-2-yl)piperazine-1-carbothioamide
CID 116508341
3-methoxy-N-(1-methoxypropan-2-yl)-3-methylpiperidine-1-carbothioamide
CID 107391609
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
3,3-diethyl-N-(1-methoxypropan-2-yl)pyrrolidine-1-carbothioamide
CID 113254039
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
1-(1-ethylpiperidin-3-yl)-3-(1-methoxypropan-2-yl)thiourea
CID 115590162
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62558793

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
The IUPAC name of 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide (CID 115580652) is 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide.
What is the SMILES notation for 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
The canonical SMILES for 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide is CCC1CCCN(C(=S)NC(C)COC)C1.
What is the InChIKey of 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
The InChIKey is CGRLXVPOOHJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-11-6-5-7-14(8-11)12(16)13-10(2)9-15-3/h10-11H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide?
3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide has a molecular weight of 244.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methoxypropan-2-yl)piperidine-1-carbothioamide is sourced from PubChem (CID 115580652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).