ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone

C14H30N2OS — CID 90805344

IUPACethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCC.CC.CN1CCCC(C(=O)N2CCSC2)C1
InChIInChI=1S/C10H18N2OS.2C2H6/c1-11-4-2-3-9(7-11)10(13)12-5-6-14-8-12;2*1-2/h9H,2-8H2,1H3;2*1-2H3
InChIKeyMKLKWNGAHAOLAZ-UHFFFAOYSA-N
MW274.47 g/mol
LogP2.91
Rot. Bonds1

About ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone

ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 90805344) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Nameethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID90805344
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Nameethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCC.CC.CN1CCCC(C(=O)N2CCSC2)C1
InChIInChI=1S/C10H18N2OS.2C2H6/c1-11-4-2-3-9(7-11)10(13)12-5-6-14-8-12;2*1-2/h9H,2-8H2,1H3;2*1-2H3
InChIKeyMKLKWNGAHAOLAZ-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Methylthio)acetyl]-4-[3-oxo-3-(1-pyrrolidinyl)propyl]piperidine
CID 42466397
(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide
CID 172908553
7-(Cyclobutylmethyl)-2-[(methylthio)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45227378
(1-Methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone
CID 50874529
(1-Methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone
CID 57565664
(2S,3R)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 58542192
1-(2,8-Dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl)-2-ethylpentan-1-one
CID 70822265
(1-Ethylpiperidin-3-yl)-pyrrolidin-1-ylmethanone
CID 71121535
(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 71121824
(3-Methylpiperidin-1-yl)-(thiolan-3-yl)methanone
CID 110856030
(2S)-2-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 117913575
2-Methyl-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 138668102

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone (CID 90805344) is ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone is CC.CC.CN1CCCC(C(=O)N2CCSC2)C1.
What is the InChIKey of ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is MKLKWNGAHAOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS.2C2H6/c1-11-4-2-3-9(7-11)10(13)12-5-6-14-8-12;2*1-2/h9H,2-8H2,1H3;2*1-2H3.
What are the key properties of ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone?
ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 274.47 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylpiperidin-3-yl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 90805344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).