N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide

C18H27N3O3S2 — CID 119938215

IUPACN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O3S2/c22-18(12-16-14-25-11-8-19-16)20-13-15-6-9-21(10-7-15)26(23,24)17-4-2-1-3-5-17/h1-5,15-16,19H,6-14H2,(H,20,22)
InChIKeyWAASNXNIBXXKJG-UHFFFAOYSA-N
MW397.57 g/mol
LogP1.30
Rot. Bonds6

About N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938215) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938215
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC NameN-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O3S2/c22-18(12-16-14-25-11-8-19-16)20-13-15-6-9-21(10-7-15)26(23,24)17-4-2-1-3-5-17/h1-5,15-16,19H,6-14H2,(H,20,22)
InChIKeyWAASNXNIBXXKJG-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934970
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-cyclopent-2-en-1-ylacetamide
CID 47086847
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941344
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942526
4-amino-N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]butanamide
CID 119310285
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-tert-butylsulfanylacetamide
CID 60604892
N-(3-benzylsulfonylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119936943
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46294822
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763

Frequently Asked Questions

What is the IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119938215) is N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WAASNXNIBXXKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c22-18(12-16-14-25-11-8-19-16)20-13-15-6-9-21(10-7-15)26(23,24)17-4-2-1-3-5-17/h1-5,15-16,19H,6-14H2,(H,20,22).
What are the key properties of N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 397.57 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).