N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide

C17H24N4O3S — CID 91920921

IUPACN-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1N(C)C
InChIInChI=1S/C17H24N4O3S/c1-13(22)19-11-15-7-8-21(12-17(15)20(2)3)25(23,24)16-6-4-5-14(9-16)10-18/h4-6,9,15,17H,7-8,11-12H2,1-3H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyDFIAKMGCKXJWGD-NVXWUHKLSA-N
MW364.47 g/mol
LogP0.64
Rot. Bonds5

About N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide

N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide (PubChem CID 91920921) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
PubChem CID91920921
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1N(C)C
InChIInChI=1S/C17H24N4O3S/c1-13(22)19-11-15-7-8-21(12-17(15)20(2)3)25(23,24)16-6-4-5-14(9-16)10-18/h4-6,9,15,17H,7-8,11-12H2,1-3H3,(H,19,22)/t15-,17-/m1/s1
InChIKeyDFIAKMGCKXJWGD-NVXWUHKLSA-N
XLogP0.64
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide (CID 91920921) is N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide is CC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1N(C)C.
What is the InChIKey of N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
The InChIKey is DFIAKMGCKXJWGD-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-13(22)19-11-15-7-8-21(12-17(15)20(2)3)25(23,24)16-6-4-5-14(9-16)10-18/h4-6,9,15,17H,7-8,11-12H2,1-3H3,(H,19,22)/t15-,17-/m1/s1.
What are the key properties of N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide?
N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-1-(3-cyanophenyl)sulfonyl-3-(dimethylamino)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91920921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).