N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide

C18H28N2O3S2 — CID 60604892

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S2/c1-18(2,3)24-14-17(21)19-13-15-9-11-20(12-10-15)25(22,23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKeyCEKUDYNLQIIPGI-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.74
Rot. Bonds6

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide (PubChem CID 60604892) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
PubChem CID60604892
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S2/c1-18(2,3)24-14-17(21)19-13-15-9-11-20(12-10-15)25(22,23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21)
InChIKeyCEKUDYNLQIIPGI-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine
CID 110930259
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111091360
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001489
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-butylsulfanylpropanamide
CID 49065427
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111636558
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-methyl-3-pentylguanidine
CID 111128795

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide (CID 60604892) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide?
The InChIKey is CEKUDYNLQIIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c1-18(2,3)24-14-17(21)19-13-15-9-11-20(12-10-15)25(22,23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,19,21).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide has a molecular weight of 384.57 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 60604892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).