4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile

C9H18N4O2S — CID 114807742

IUPAC4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
SMILESCCNS(=O)(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C9H18N4O2S/c1-3-11-16(14,15)12-9(8-10)4-6-13(2)7-5-9/h11-12H,3-7H2,1-2H3
InChIKeyLDCFYZSUDQIFAG-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.58
Rot. Bonds4

About 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile

4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile (PubChem CID 114807742) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
PubChem CID114807742
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
SMILESCCNS(=O)(=O)NC1(C#N)CCN(C)CC1
InChIInChI=1S/C9H18N4O2S/c1-3-11-16(14,15)12-9(8-10)4-6-13(2)7-5-9/h11-12H,3-7H2,1-2H3
InChIKeyLDCFYZSUDQIFAG-UHFFFAOYSA-N
XLogP-0.58
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807696
ethyl 2-[(4-cyano-1-methylpiperidin-4-yl)sulfamoyl]acetate
CID 61456904
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070
N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173730
N-(4-cyano-1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61124758
1-methyl-3-(propylamino)pyrrolidine-3-carbonitrile
CID 62977512
1-methyl-4-(propylamino)azepane-4-carbonitrile
CID 65075051
3-bromo-N-(4-cyano-1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61457756
N-(4-cyano-1-methylpiperidin-4-yl)-2-pyridin-2-ylethanesulfonamide
CID 61123182
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile (CID 114807742) is 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile is CCNS(=O)(=O)NC1(C#N)CCN(C)CC1.
What is the InChIKey of 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile?
The InChIKey is LDCFYZSUDQIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-3-11-16(14,15)12-9(8-10)4-6-13(2)7-5-9/h11-12H,3-7H2,1-2H3.
What are the key properties of 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile?
4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile has a molecular weight of 246.34 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 114807742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).