N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide

C11H19N3O3S — CID 112705178

IUPACN-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide
SMILESCCC(C#N)S(=O)(=O)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H19N3O3S/c1-3-11(8-12)18(16,17)14-6-4-10(5-7-14)13-9(2)15/h10-11H,3-7H2,1-2H3,(H,13,15)
InChIKeyRAMWVZIBTOESMI-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.22
Rot. Bonds4

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

N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide (PubChem CID 112705178) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide
PubChem CID112705178
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide
SMILESCCC(C#N)S(=O)(=O)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H19N3O3S/c1-3-11(8-12)18(16,17)14-6-4-10(5-7-14)13-9(2)15/h10-11H,3-7H2,1-2H3,(H,13,15)
InChIKeyRAMWVZIBTOESMI-UHFFFAOYSA-N
XLogP0.22
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyanopropylsulfonyl)pyrrolidine-3-carboxamide
CID 103850382
2-(3-methylazetidin-1-yl)sulfonylbutanenitrile
CID 130634227
2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
CID 66433232
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]butanenitrile
CID 107271352
methyl 4-(4-acetamidopiperidin-1-yl)sulfonylbutanoate
CID 115634589
N-[1-(2-iodoethyl)piperidin-4-yl]acetamide
CID 126991191
N-(1-pyrrolidin-3-ylsulfonylpiperidin-4-yl)acetamide
CID 113402662
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
N-[1-(2-chloroethylsulfonyl)pyrrolidin-3-yl]acetamide
CID 107652387
2-[8-(1-cyanopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608666
2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 47460723

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide (CID 112705178) is N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide is CCC(C#N)S(=O)(=O)N1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide?
The InChIKey is RAMWVZIBTOESMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-11(8-12)18(16,17)14-6-4-10(5-7-14)13-9(2)15/h10-11H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide?
N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyanopropylsulfonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 112705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).