methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate

C14H18N2O3S — CID 108565841

IUPACmethyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccccc2S)CC1
InChIInChI=1S/C14H18N2O3S/c1-19-14(18)15-10-6-8-16(9-7-10)13(17)11-4-2-3-5-12(11)20/h2-5,10,20H,6-9H2,1H3,(H,15,18)
InChIKeyVJUIEGLOPUZVMF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.94
Rot. Bonds2

About methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate

methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate (PubChem CID 108565841) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
PubChem CID108565841
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Namemethyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccccc2S)CC1
InChIInChI=1S/C14H18N2O3S/c1-19-14(18)15-10-6-8-16(9-7-10)13(17)11-4-2-3-5-12(11)20/h2-5,10,20H,6-9H2,1H3,(H,15,18)
InChIKeyVJUIEGLOPUZVMF-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565830
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
tert-butyl N-[3-oxo-3-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]propyl]carbamate
CID 108548266
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
2-(3,4-dimethoxyphenyl)-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 108558753
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108561636
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate (CID 108565841) is methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)c2ccccc2S)CC1.
What is the InChIKey of methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
The InChIKey is VJUIEGLOPUZVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-14(18)15-10-6-8-16(9-7-10)13(17)11-4-2-3-5-12(11)20/h2-5,10,20H,6-9H2,1H3,(H,15,18).
What are the key properties of methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate?
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate has a molecular weight of 294.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108565841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).