1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide

C12H23N3O2S — CID 114083935

IUPAC1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1NCCCC1(C)C
InChIInChI=1S/C12H23N3O2S/c1-4-10(8-13)18(16,17)15-9-11-12(2,3)6-5-7-14-11/h10-11,14-15H,4-7,9H2,1-3H3
InChIKeyVTUOOVQFYRMOOG-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.99
Rot. Bonds5

About 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide

1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 114083935) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
PubChem CID114083935
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1NCCCC1(C)C
InChIInChI=1S/C12H23N3O2S/c1-4-10(8-13)18(16,17)15-9-11-12(2,3)6-5-7-14-11/h10-11,14-15H,4-7,9H2,1-3H3
InChIKeyVTUOOVQFYRMOOG-UHFFFAOYSA-N
XLogP0.99
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyanocyclopropyl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]methanesulfonamide
CID 86807125
N-[(3,3-dimethylpiperidin-2-yl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 105566127
1-(2-aminoethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983828
N,4-dimethyl-1-propylsulfonylpiperidin-3-amine
CID 21983832
1-(Ethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983834
1-butylsulfonyl-N,4-dimethylpiperidin-3-amine
CID 21983835
N,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 21983847
2,4-Dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 22291187
(2S)-1-(1,1-dioxothiazinan-2-yl)-3,3-dimethyl-N-propan-2-ylbutan-2-amine
CID 59677687
(3R,4R)-1-ethylsulfonyl-N,4-dimethylpiperidin-3-amine
CID 68326361
(2S)-1-(1,1-dioxothiazinan-2-yl)-N,3,3-trimethylbutan-2-amine
CID 70331431
N-(3,3-dimethylpiperidin-4-yl)propane-2-sulfonamide
CID 155136614

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide (CID 114083935) is 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC1NCCCC1(C)C.
What is the InChIKey of 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is VTUOOVQFYRMOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-10(8-13)18(16,17)15-9-11-12(2,3)6-5-7-14-11/h10-11,14-15H,4-7,9H2,1-3H3.
What are the key properties of 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide?
1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3,3-dimethylpiperidin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 114083935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).