N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide

C10H17N3O3S — CID 103850354

IUPACN-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)CC#N)CC1
InChIInChI=1S/C10H17N3O3S/c1-9(14)12-8-10-2-5-13(6-3-10)17(15,16)7-4-11/h10H,2-3,5-8H2,1H3,(H,12,14)
InChIKeyAWMPOCCMOKPGFG-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.31
Rot. Bonds4

About N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide

N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 103850354) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide
PubChem CID103850354
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(S(=O)(=O)CC#N)CC1
InChIInChI=1S/C10H17N3O3S/c1-9(14)12-8-10-2-5-13(6-3-10)17(15,16)7-4-11/h10H,2-3,5-8H2,1H3,(H,12,14)
InChIKeyAWMPOCCMOKPGFG-UHFFFAOYSA-N
XLogP-0.31
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide (CID 103850354) is N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(S(=O)(=O)CC#N)CC1.
What is the InChIKey of N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is AWMPOCCMOKPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-9(14)12-8-10-2-5-13(6-3-10)17(15,16)7-4-11/h10H,2-3,5-8H2,1H3,(H,12,14).
What are the key properties of N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 259.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 103850354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).