methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate

C14H24N2O5S — CID 8754537

IUPACmethyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H24N2O5S/c1-14(5-8-22(19,20)10-14)15-12(17)9-16-6-3-11(4-7-16)13(18)21-2/h11H,3-10H2,1-2H3,(H,15,17)/t14-/m0/s1
InChIKeySGTSRVVBNUIXLP-AWEZNQCLSA-N
MW332.42 g/mol
LogP-0.44
Rot. Bonds4

About methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8754537) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8754537
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Namemethyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H24N2O5S/c1-14(5-8-22(19,20)10-14)15-12(17)9-16-6-3-11(4-7-16)13(18)21-2/h11H,3-10H2,1-2H3,(H,15,17)/t14-/m0/s1
InChIKeySGTSRVVBNUIXLP-AWEZNQCLSA-N
XLogP-0.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 102977313
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 62014731
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
2-[4-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30636345
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 100858130
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43065565
2-(2-cyanopiperazin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 79085035
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407
2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43237327

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate (CID 8754537) is methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)CC1.
What is the InChIKey of methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is SGTSRVVBNUIXLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-14(5-8-22(19,20)10-14)15-12(17)9-16-6-3-11(4-7-16)13(18)21-2/h11H,3-10H2,1-2H3,(H,15,17)/t14-/m0/s1.
What are the key properties of methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 332.42 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8754537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).