1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide

C10H20N2OS — CID 107161389

IUPAC1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
SMILESCC(O)CN1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C10H20N2OS/c1-8(13)7-12-5-3-10(2,4-6-12)9(11)14/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyYWRIFKYIEGPTLT-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide

1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161389) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161389
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
SMILESCC(O)CN1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C10H20N2OS/c1-8(13)7-12-5-3-10(2,4-6-12)9(11)14/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyYWRIFKYIEGPTLT-UHFFFAOYSA-N
XLogP0.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carbothioamide
CID 107161484
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161621
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide
CID 107161548
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide (CID 107161389) is 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide is CC(O)CN1CCC(C)(C(N)=S)CC1.
What is the InChIKey of 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is YWRIFKYIEGPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(13)7-12-5-3-10(2,4-6-12)9(11)14/h8,13H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 216.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).