N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide

C11H21N3O2S — CID 63224737

IUPACN-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)C(C)CC#N)CC1
InChIInChI=1S/C11H21N3O2S/c1-10-5-8-14(9-6-10)17(15,16)13(3)11(2)4-7-12/h10-11H,4-6,8-9H2,1-3H3
InChIKeyRQCMOPFELIFMEL-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.20
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide

N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 63224737) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID63224737
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)C(C)CC#N)CC1
InChIInChI=1S/C11H21N3O2S/c1-10-5-8-14(9-6-10)17(15,16)13(3)11(2)4-7-12/h10-11H,4-6,8-9H2,1-3H3
InChIKeyRQCMOPFELIFMEL-UHFFFAOYSA-N
XLogP1.20
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide (CID 63224737) is N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)C(C)CC#N)CC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is RQCMOPFELIFMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-10-5-8-14(9-6-10)17(15,16)13(3)11(2)4-7-12/h10-11H,4-6,8-9H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide?
N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 63224737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).