1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine

C13H26N4O2S — CID 71865884

IUPAC1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(C)(C#N)CCCN1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C13H26N4O2S/c1-13(2,11-14)6-4-8-17-7-3-5-12(10-17)9-16-20(15,18)19/h12,16H,3-10H2,1-2H3,(H2,15,18,19)
InChIKeyYFJXZJWCKNGLDA-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.82
Rot. Bonds7

About 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine

1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 71865884) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID71865884
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC(C)(C#N)CCCN1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C13H26N4O2S/c1-13(2,11-14)6-4-8-17-7-3-5-12(10-17)9-16-20(15,18)19/h12,16H,3-10H2,1-2H3,(H2,15,18,19)
InChIKeyYFJXZJWCKNGLDA-UHFFFAOYSA-N
XLogP0.82
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-4-(cyclopropylmethyl)-N-ethylpiperidine-1-sulfonamide
CID 57931198
1-[3-(Dimethylsulfamoylamino)propyl]-3,5-dimethylpiperidine
CID 47214861
N-(3-cyanopropyl)-4-methylpiperidine-1-sulfonamide
CID 55210432
3-[(Dimethylsulfamoylamino)methyl]-1-methylpiperidine
CID 60278974
N-(1-cyanopropyl)-3-methylpiperidine-1-sulfonamide
CID 61122065
N-(1-cyanobutyl)-3-methylpiperidine-1-sulfonamide
CID 61123666
3-[[[3-Aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylpiperidine
CID 61824356
N-(1-cyanopropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 62089939
N-(1-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 62645646
N-(2-cyanopropyl)-3-methylpiperidine-1-sulfonamide
CID 62652041
N-(2-cyanoethyl)-3-methylpiperidine-1-sulfonamide
CID 62653851
N-(3-cyanopropyl)-3-methylpiperidine-1-sulfonamide
CID 62668498

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine (CID 71865884) is 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine is CC(C)(C#N)CCCN1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is YFJXZJWCKNGLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-13(2,11-14)6-4-8-17-7-3-5-12(10-17)9-16-20(15,18)19/h12,16H,3-10H2,1-2H3,(H2,15,18,19).
What are the key properties of 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 302.44 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-4-methylpentyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 71865884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).