1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane

C10H19N3O2S — CID 62963450

IUPAC1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
SMILESCC(C)N(C)S(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H19N3O2S/c1-8(2)13(3)16(14,15)12-10-6-4-5-9(10)7-11/h8-10,12H,4-6H2,1-3H3
InChIKeyWAFHOWIVIZWGSW-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.85
Rot. Bonds4

About 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane

1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane (PubChem CID 62963450) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane.

Molecular Properties

Compound Name1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
PubChem CID62963450
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
SMILESCC(C)N(C)S(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H19N3O2S/c1-8(2)13(3)16(14,15)12-10-6-4-5-9(10)7-11/h8-10,12H,4-6H2,1-3H3
InChIKeyWAFHOWIVIZWGSW-UHFFFAOYSA-N
XLogP0.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane?
The IUPAC name of 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane (CID 62963450) is 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane.
What is the SMILES notation for 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane?
The canonical SMILES for 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane is CC(C)N(C)S(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane?
The InChIKey is WAFHOWIVIZWGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)13(3)16(14,15)12-10-6-4-5-9(10)7-11/h8-10,12H,4-6H2,1-3H3.
What are the key properties of 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane?
1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane has a molecular weight of 245.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane is sourced from PubChem (CID 62963450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).