1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide

C12H21N3O2S — CID 79717240

IUPAC1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H21N3O2S/c1-10(8-13)18(16,17)15(12-2-3-12)9-11-4-6-14-7-5-11/h10-12,14H,2-7,9H2,1H3
InChIKeyRAQJCQYSGFMWBT-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.69
Rot. Bonds5

About 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide

1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide (PubChem CID 79717240) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
PubChem CID79717240
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H21N3O2S/c1-10(8-13)18(16,17)15(12-2-3-12)9-11-4-6-14-7-5-11/h10-12,14H,2-7,9H2,1H3
InChIKeyRAQJCQYSGFMWBT-UHFFFAOYSA-N
XLogP0.69
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide 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

2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
4-[cyclopropylmethyl(sulfamoyl)amino]piperidine
CID 167049531
N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
CID 79717369
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
3-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropanenitrile
CID 79717053
N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide
CID 79701122
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclobutanamine;hydrochloride
CID 119932017

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide (CID 79717240) is 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide is CC(C#N)S(=O)(=O)N(CC1CCNCC1)C1CC1.
What is the InChIKey of 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide?
The InChIKey is RAQJCQYSGFMWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(8-13)18(16,17)15(12-2-3-12)9-11-4-6-14-7-5-11/h10-12,14H,2-7,9H2,1H3.
What are the key properties of 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide?
1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 79717240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).