N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide

C14H26N2O3S — CID 100733555

IUPACN-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H26N2O3S/c1-11(2)14(17)15-13-4-3-6-16(9-13)8-12-5-7-20(18,19)10-12/h11-13H,3-10H2,1-2H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyKIHLXILUPKFJIB-STQMWFEESA-N
MW302.44 g/mol
LogP0.66
Rot. Bonds4

About N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide

N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide (PubChem CID 100733555) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide
PubChem CID100733555
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C14H26N2O3S/c1-11(2)14(17)15-13-4-3-6-16(9-13)8-12-5-7-20(18,19)10-12/h11-13H,3-10H2,1-2H3,(H,15,17)/t12-,13-/m0/s1
InChIKeyKIHLXILUPKFJIB-STQMWFEESA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
CID 124845099
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 64867746
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
3-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]thiolane 1,1-dioxide
CID 64949167
N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
CID 54914819
(3R)-3-acetamido-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95271977
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 62133246
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 80520208
2-(1,1-dioxothiolan-3-yl)-N-propan-2-ylacetamide
CID 171049196

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide (CID 100733555) is N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide?
The InChIKey is KIHLXILUPKFJIB-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-11(2)14(17)15-13-4-3-6-16(9-13)8-12-5-7-20(18,19)10-12/h11-13H,3-10H2,1-2H3,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide?
N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 100733555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).