4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide

C10H17N3O2S — CID 104919438

IUPAC4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide
SMILESCC1(C#N)CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H17N3O2S/c1-10(8-11)4-6-13(7-5-10)16(14,15)12-9-2-3-9/h9,12H,2-7H2,1H3
InChIKeyXGCRTHRCRRYSSN-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.61
Rot. Bonds3

About 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide

4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide (PubChem CID 104919438) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide
PubChem CID104919438
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide
SMILESCC1(C#N)CCN(S(=O)(=O)NC2CC2)CC1
InChIInChI=1S/C10H17N3O2S/c1-10(8-11)4-6-13(7-5-10)16(14,15)12-9-2-3-9/h9,12H,2-7H2,1H3
InChIKeyXGCRTHRCRRYSSN-UHFFFAOYSA-N
XLogP0.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990296
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
1-(2-methoxyethylsulfonyl)-4-methylpiperidine-4-carbonitrile
CID 103990319
N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide
CID 55247688
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
1-(3-methoxypropylsulfonyl)-4-methylpiperidine-4-carbonitrile
CID 113362560
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
1-[(2-cyanophenyl)methylsulfonyl]-4-methylpiperidine-4-carbonitrile
CID 103990260

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide (CID 104919438) is 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide is CC1(C#N)CCN(S(=O)(=O)NC2CC2)CC1.
What is the InChIKey of 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is XGCRTHRCRRYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(8-11)4-6-13(7-5-10)16(14,15)12-9-2-3-9/h9,12H,2-7H2,1H3.
What are the key properties of 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide?
4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104919438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).